#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtm n GLU 21 N 0.00 2.00 -0.49 -1.24 0.28 -1.26 -4.26 120.64 115.67 3gtm n GLU 21 Ca 0.00 -0.41 0.06 0.00 -0.16 0.00 0.00 57.16 56.65 3gtm n GLU 21 Cb 0.00 -0.88 0.19 0.00 1.43 0.00 0.00 31.44 32.18 3gtm n GLU 21 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 3gtm n SER 22 N -0.31 1.98 -4.92 -1.84 7.64 -1.26 -4.16 113.62 110.74 3gtm n SER 22 Ca 0.01 -3.68 -0.26 0.00 1.01 0.00 0.00 58.87 55.95 3gtm n SER 22 Cb 0.06 -0.52 -0.00 0.00 -1.01 0.00 0.00 64.21 62.74 3gtm n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gtm s ALA 23 N -3.14 3.53 1.00 -0.43 0.00 -1.26 -4.96 121.76 116.50 3gtm s ALA 23 Ca 0.37 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.62 3gtm s ALA 23 Cb 0.35 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 21.09 3gtm s ALA 23 CO -0.04 -0.28 0.00 -0.35 0.00 0.00 0.00 175.76 175.09 3gtm n PRO 24 N -2.11 0.93 -4.40 0.00 -0.04 -1.26 -2.07 135.00 126.05 3gtm n PRO 24 Ca -0.01 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 3gtm n PRO 24 Cb 0.56 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.92 3gtm n PRO 24 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3gtm s ILE 25 N -0.06 1.99 0.00 0.52 1.01 -1.26 -3.25 121.20 120.15 3gtm s ILE 25 Ca 0.00 -2.27 0.04 0.00 0.00 0.00 0.00 60.65 58.42 3gtm s ILE 25 Cb 0.00 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 3gtm s ILE 25 CO 0.00 -0.50 -0.13 0.42 0.00 0.00 0.00 174.94 174.72 3gtm s THR 26 N -2.82 1.04 0.22 2.92 -4.23 -1.26 -4.55 115.64 106.97 3gtm s THR 26 Ca 0.26 -0.66 0.01 0.00 -1.18 0.00 0.00 61.69 60.12 3gtm s THR 26 Cb -0.02 -0.89 0.30 0.00 1.34 0.00 0.00 72.50 73.23 3gtm s THR 26 CO 0.10 0.22 1.10 0.00 -0.54 0.00 0.00 174.62 175.51 3gtm n ALA 27 N 2.56 0.36 -0.28 3.99 0.00 -1.26 0.16 120.51 126.04 3gtm n ALA 27 Ca -0.15 0.76 0.13 0.00 0.00 0.00 0.00 53.44 54.17 3gtm n ALA 27 Cb 0.55 -0.55 0.38 0.00 0.00 0.00 0.00 19.45 19.83 3gtm n ALA 27 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3gtm h GLU 28 N 0.00 0.66 -0.23 0.00 4.57 -1.99 -1.02 114.58 116.56 3gtm h GLU 28 Ca 0.43 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.55 3gtm h GLU 28 Cb 0.88 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 3gtm h GLU 28 CO -0.66 0.43 0.06 -0.44 -1.18 0.00 0.00 179.01 177.22 3gtm h ASP 29 N 0.68 0.29 0.30 1.04 3.32 0.11 -2.83 116.42 119.33 3gtm h ASP 29 Ca 0.47 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.49 3gtm h ASP 29 Cb 0.79 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.27 3gtm h ASP 29 CO -0.22 0.29 0.00 -1.54 -1.72 0.00 0.00 179.24 176.05 3gtm n SER 30 N -4.41 0.00 0.07 6.45 3.41 -0.39 -2.60 113.62 116.15 3gtm n SER 30 Ca 0.00 0.01 -0.22 0.00 -0.26 0.00 0.00 58.87 58.40 3gtm n SER 30 Cb 0.15 -0.27 -0.15 0.00 -0.26 0.00 0.00 64.21 63.68 3gtm n SER 30 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 3gtm h TRP 31 N 0.00 0.69 0.00 7.33 4.06 -1.63 -3.06 115.95 123.34 3gtm h TRP 31 Ca 0.00 -0.50 -0.01 0.00 2.06 0.00 0.00 58.89 60.44 3gtm h TRP 31 Cb 0.15 -0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 28.28 3gtm h TRP 31 CO 0.00 1.65 -0.05 0.00 -3.56 0.00 0.00 178.44 176.49 3gtm h ALA 32 N 0.15 1.66 0.62 1.49 0.00 -1.67 0.00 119.26 121.51 3gtm h ALA 32 Ca -0.34 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3gtm h ALA 32 Cb 2.09 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.88 3gtm h ALA 32 CO 0.17 0.06 -0.30 0.28 0.00 0.00 0.00 179.25 179.46 3gtm h VAL 33 N 0.00 0.13 -0.81 0.00 2.07 -1.61 -2.77 116.25 113.25 3gtm h VAL 33 Ca -0.00 -0.37 0.20 0.00 0.82 0.00 0.00 66.70 67.35 3gtm h VAL 33 Cb 0.10 0.18 -0.13 0.00 -1.52 0.00 0.00 31.29 29.92 3gtm h VAL 33 CO 0.01 0.02 0.19 0.40 0.02 0.00 0.00 177.57 178.20 3gtm h ILE 34 N -1.16 0.40 -0.50 4.57 2.04 -1.34 0.13 117.51 121.65 3gtm h ILE 34 Ca -0.09 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 65.80 3gtm h ILE 34 Cb 0.67 0.15 -0.10 0.00 -0.74 0.00 0.00 36.82 36.81 3gtm h ILE 34 CO 0.14 0.04 -0.13 -1.28 0.00 0.00 0.00 178.15 176.92 3gtm h SER 35 N 0.23 -0.49 0.38 1.72 0.87 -0.98 0.57 113.55 115.85 3gtm h SER 35 Ca 0.48 0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 61.16 3gtm h SER 35 Cb 0.90 0.32 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 3gtm h SER 35 CO -0.60 -0.17 -0.18 0.00 -0.53 0.00 0.00 176.83 175.35 3gtm h ALA 36 N 1.48 1.35 -0.34 6.23 0.00 -0.49 0.15 119.26 127.63 3gtm h ALA 36 Ca 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3gtm h ALA 36 Cb 0.38 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3gtm h ALA 36 CO -0.52 0.23 0.07 0.35 0.00 0.00 0.00 179.25 179.38 3gtm h PHE 37 N 0.00 0.59 0.00 0.00 3.57 0.04 -3.16 116.94 117.98 3gtm h PHE 37 Ca -0.00 -0.08 -0.20 0.00 3.53 0.00 0.00 57.97 61.23 3gtm h PHE 37 Cb 0.42 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 3gtm h PHE 37 CO 0.00 0.61 -0.94 0.74 -2.23 0.00 0.00 178.31 176.49 3gtm h PHE 38 N 0.40 0.00 0.00 0.41 0.05 -0.68 -1.81 116.94 115.32 3gtm h PHE 38 Ca 0.11 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.90 3gtm h PHE 38 Cb 0.32 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.27 3gtm h PHE 38 CO 0.02 0.94 0.00 0.54 -0.18 0.00 0.00 178.31 179.63 3gtm n ARG 39 N -3.36 0.09 -0.01 1.51 1.74 0.44 -1.19 116.66 115.87 3gtm n ARG 39 Ca 0.00 0.58 -0.01 0.00 -0.77 0.00 0.00 57.85 57.64 3gtm n ARG 39 Cb 0.91 -1.79 -0.01 0.00 -1.02 0.00 0.00 32.46 30.54 3gtm n ARG 39 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3gtm n GLU 40 N -1.98 0.28 0.00 5.56 2.13 -1.18 -4.81 120.64 120.63 3gtm n GLU 40 Ca -0.01 0.01 0.11 0.00 0.66 0.00 0.00 57.16 57.93 3gtm n GLU 40 Cb 0.03 -1.04 -0.02 0.00 0.27 0.00 0.00 31.44 30.69 3gtm n GLU 40 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3gtm n LYS 41 N -2.53 0.03 0.00 5.31 5.02 -0.69 -5.07 118.16 120.23 3gtm n LYS 41 Ca -0.03 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 3gtm n LYS 41 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 3gtm n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gtm n GLY 42 N 1.49 0.93 0.31 0.72 0.00 -0.34 -2.94 105.19 105.36 3gtm n GLY 42 Ca 0.04 -0.80 0.03 0.00 0.00 0.00 0.00 46.02 45.29 3gtm n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtm n LEU 43 N 0.00 2.39 0.00 0.99 4.77 -1.26 -4.54 117.00 119.35 3gtm n LEU 43 Ca 0.00 -1.94 0.00 0.00 -0.03 0.00 0.00 56.01 54.04 3gtm n LEU 43 Cb 0.00 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3gtm n LEU 43 CO 0.00 0.59 0.28 1.33 -1.33 0.00 0.00 177.39 178.26 3gtm n VAL 44 N 0.02 0.31 -0.23 4.08 0.24 -1.26 -4.90 118.33 116.60 3gtm n VAL 44 Ca 0.06 -0.42 0.10 0.00 -2.04 0.00 0.00 64.34 62.04 3gtm n VAL 44 Cb 0.32 1.04 0.21 0.00 -1.47 0.00 0.00 33.84 33.94 3gtm n VAL 44 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3gtm n SER 45 N -0.16 -0.06 -0.21 -1.34 3.41 -1.15 -0.24 113.62 113.88 3gtm n SER 45 Ca 0.00 1.11 0.01 0.00 -0.26 0.00 0.00 58.87 59.74 3gtm n SER 45 Cb 0.27 -0.41 0.12 0.00 -0.26 0.00 0.00 64.21 63.93 3gtm n SER 45 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3gtm h GLN 46 N 0.00 0.28 0.80 4.33 3.07 -1.90 1.15 115.11 122.84 3gtm h GLN 46 Ca 0.41 -0.02 -0.04 0.00 0.09 0.00 0.00 58.65 59.09 3gtm h GLN 46 Cb 0.86 -0.06 0.01 0.00 0.08 0.00 0.00 27.48 28.37 3gtm h GLN 46 CO -0.61 0.18 -0.38 1.96 0.09 0.00 0.00 178.83 180.07 3gtm h GLN 47 N 0.29 -1.03 0.55 0.06 1.08 -0.98 -2.70 115.11 112.38 3gtm h GLN 47 Ca 0.33 0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.58 3gtm h GLN 47 Cb 0.50 0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 28.16 3gtm h GLN 47 CO -0.41 -0.69 -0.34 -0.07 -0.95 0.00 0.00 178.83 176.38 3gtm h LEU 48 N -1.27 -0.85 -0.63 1.46 3.38 -1.42 -1.44 115.31 114.55 3gtm h LEU 48 Ca -0.11 0.05 0.26 0.00 0.09 0.00 0.00 57.88 58.17 3gtm h LEU 48 Cb 0.82 0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.71 3gtm h LEU 48 CO 0.18 -0.52 0.34 0.47 0.09 0.00 0.00 178.44 179.00 3gtm n ASP 49 N -4.48 0.21 -0.06 -0.43 8.00 0.40 -0.45 116.55 119.74 3gtm n ASP 49 Ca -0.10 1.02 -0.08 0.00 0.71 0.00 0.00 54.79 56.34 3gtm n ASP 49 Cb 0.34 -0.50 -0.07 0.00 -0.02 0.00 0.00 41.12 40.88 3gtm n ASP 49 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3gtm h SER 50 N 0.00 0.00 -0.63 -2.24 0.87 -1.20 -3.26 113.55 107.08 3gtm h SER 50 Ca 0.53 -0.53 0.12 0.00 -1.23 0.00 0.00 61.79 60.68 3gtm h SER 50 Cb 1.40 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.24 3gtm h SER 50 CO -0.47 0.80 -0.27 0.15 -0.53 0.00 0.00 176.83 176.51 3gtm h PHE 51 N -1.00 -0.70 -0.12 2.24 3.57 0.34 -0.94 116.94 120.33 3gtm h PHE 51 Ca -0.01 0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.60 3gtm h PHE 51 Cb 0.57 0.40 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 3gtm h PHE 51 CO 0.14 -0.35 -0.20 -0.91 -2.23 0.00 0.00 178.31 174.76 3gtm h ASN 52 N -0.10 -0.62 0.00 0.41 2.35 -1.53 0.12 115.58 116.21 3gtm h ASN 52 Ca 0.27 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 3gtm h ASN 52 Cb 0.54 0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.19 3gtm h ASN 52 CO -0.70 -0.25 0.00 1.67 -1.65 0.00 0.00 177.43 176.50 3gtm n GLN 53 N -5.34 0.00 -0.09 0.81 -0.06 -0.41 0.03 117.38 112.33 3gtm n GLN 53 Ca -0.03 0.21 -0.11 0.00 -2.00 0.00 0.00 57.00 55.08 3gtm n GLN 53 Cb 0.25 -1.50 -0.04 0.00 -4.06 0.00 0.00 30.24 24.89 3gtm n GLN 53 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3gtm n PHE 54 N -1.21 0.44 -0.15 3.69 7.35 0.25 -2.88 117.46 124.95 3gtm n PHE 54 Ca 0.00 0.19 -0.03 0.00 -0.76 0.00 0.00 57.45 56.85 3gtm n PHE 54 Cb 0.00 -0.71 0.06 0.00 0.35 0.00 0.00 39.48 39.18 3gtm n PHE 54 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3gtm h VAL 55 N -1.00 0.79 -0.01 -2.13 2.07 0.39 -0.34 116.25 116.02 3gtm h VAL 55 Ca -0.10 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3gtm h VAL 55 Cb 0.90 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3gtm h VAL 55 CO -0.06 0.05 -0.05 0.44 0.02 0.00 0.00 177.57 177.97 3gtm h ASP 56 N 0.28 0.05 0.00 0.57 3.32 -0.66 -3.41 116.42 116.58 3gtm h ASP 56 Ca 0.23 -0.71 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3gtm h ASP 56 Cb 0.28 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3gtm h ASP 56 CO -0.27 0.75 -0.26 -1.22 -1.72 0.00 0.00 179.24 176.52 3gtm n TYR 57 N -4.70 0.00 -0.26 4.55 4.02 -1.21 -4.69 117.16 114.87 3gtm n TYR 57 Ca -0.09 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.86 3gtm n TYR 57 Cb 0.38 -0.13 0.17 0.00 -0.02 0.00 0.00 39.34 39.73 3gtm n TYR 57 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 3gtm h THR 58 N -0.26 0.36 -0.70 -0.72 2.02 -1.29 -1.38 112.91 110.93 3gtm h THR 58 Ca 0.00 -0.04 0.13 0.00 0.77 0.00 0.00 66.41 67.26 3gtm h THR 58 Cb 0.26 0.22 -0.09 0.00 -1.74 0.00 0.00 68.15 66.80 3gtm h THR 58 CO 0.00 0.02 0.27 0.25 0.37 0.00 0.00 175.52 176.43 3gtm h LEU 59 N 0.12 0.25 -0.85 2.58 5.85 -1.30 0.27 115.31 122.23 3gtm h LEU 59 Ca 0.42 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.24 3gtm h LEU 59 Cb 0.75 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3gtm h LEU 59 CO -0.65 0.11 0.00 -0.61 -0.34 0.00 0.00 178.44 176.95 3gtm h GLN 60 N 0.43 0.00 0.01 1.25 5.75 -1.52 -2.87 115.11 118.15 3gtm h GLN 60 Ca 0.38 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.82 3gtm h GLN 60 Cb 0.54 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.08 3gtm h GLN 60 CO -0.38 0.00 -0.27 -0.44 -2.65 0.00 0.00 178.83 175.09 3gtm h ASP 61 N 0.00 0.03 0.26 -0.69 5.19 -0.38 -3.18 116.42 117.65 3gtm h ASP 61 Ca 0.00 -0.91 -0.01 0.00 -0.62 0.00 0.00 57.03 55.49 3gtm h ASP 61 Cb 0.33 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.83 3gtm h ASP 61 CO 0.00 1.11 -0.03 0.40 -3.12 0.00 0.00 179.24 177.60 3gtm h ILE 62 N -0.96 0.20 0.00 0.35 2.04 -1.28 0.24 117.51 118.10 3gtm h ILE 62 Ca -0.07 -0.21 -0.14 0.00 1.00 0.00 0.00 64.86 65.45 3gtm h ILE 62 Cb 1.09 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 3gtm h ILE 62 CO -0.03 0.03 -0.65 0.40 0.00 0.00 0.00 178.15 177.90 3gtm h ILE 63 N 0.00 1.23 -3.27 -0.67 5.03 -1.61 -3.42 117.51 114.80 3gtm h ILE 63 Ca -0.00 -2.43 -0.73 0.00 -0.12 0.00 0.00 64.86 61.58 3gtm h ILE 63 Cb 0.16 2.40 -0.28 0.00 -3.03 0.00 0.00 36.82 36.07 3gtm h ILE 63 CO 0.00 0.64 -0.36 0.00 -0.68 0.00 0.00 178.15 177.75 3gtm n GLU 65 N 4.99 0.00 0.00 0.00 0.28 -1.26 -4.87 120.64 119.78 3gtm n GLU 65 Ca -0.09 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.00 3gtm n GLU 65 Cb 0.41 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.20 3gtm n GLU 65 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3gtm n ASP 66 N 0.00 1.24 -0.33 -1.84 5.68 -1.26 -4.67 116.55 115.37 3gtm n ASP 66 Ca 0.00 -1.12 0.23 0.00 -0.50 0.00 0.00 54.79 53.40 3gtm n ASP 66 Cb 0.00 0.85 0.43 0.00 -1.14 0.00 0.00 41.12 41.26 3gtm n ASP 66 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3gtm h SER 67 N 0.68 -0.06 -3.30 -1.12 4.64 -1.89 -3.41 113.55 109.09 3gtm h SER 67 Ca 0.00 0.27 -0.57 0.00 -0.47 0.00 0.00 61.79 61.02 3gtm h SER 67 Cb 0.54 0.37 -0.05 0.00 -0.31 0.00 0.00 62.40 62.95 3gtm h SER 67 CO 0.00 -0.38 -0.01 -0.89 -0.87 0.00 0.00 176.83 174.68 3gtm s THR 68 N -5.77 4.87 0.00 2.95 2.01 -1.26 -4.25 115.64 114.19 3gtm s THR 68 Ca -0.11 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.14 3gtm s THR 68 Cb 0.31 -3.93 0.00 0.00 0.01 0.00 0.00 72.50 68.89 3gtm s THR 68 CO 0.78 0.44 0.00 0.18 -0.69 0.00 0.00 174.62 175.33 3gtm n LEU 69 N 2.54 0.00 -0.51 4.42 4.77 -1.26 -4.78 117.00 122.18 3gtm n LEU 69 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3gtm n LEU 69 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3gtm n LEU 69 CO 0.43 0.00 0.21 -0.38 -1.33 0.00 0.00 177.39 176.32 3gtm n ILE 70 N 0.00 0.01 -3.44 -0.08 -0.00 -1.26 -5.04 119.36 109.55 3gtm n ILE 70 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 62.75 62.76 3gtm n ILE 70 Cb 0.00 -0.41 -0.04 0.00 -0.00 0.00 0.00 39.64 39.19 3gtm n ILE 70 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 3gtm s ILE 90 N -0.98 -0.55 -0.16 1.39 1.01 -1.26 -5.21 121.20 115.43 3gtm s ILE 90 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 60.65 60.48 3gtm s ILE 90 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3gtm s ILE 90 CO 0.00 0.00 0.45 -0.94 0.00 0.00 0.00 174.94 174.45 3gtm s SER 91 N 2.47 6.57 -0.15 3.58 1.04 -1.23 -4.45 113.70 121.52 3gtm s SER 91 Ca -0.03 0.68 -0.15 0.00 0.48 0.00 0.00 55.95 56.93 3gtm s SER 91 Cb -0.07 -2.27 -0.04 0.00 0.10 0.00 0.00 66.02 63.74 3gtm s SER 91 CO -0.18 -0.06 0.35 -0.36 0.98 0.00 0.00 173.24 173.97 3gtm s PHE 92 N 1.05 3.46 0.00 5.02 0.40 -1.26 -0.79 117.98 125.86 3gtm s PHE 92 Ca 0.23 0.67 0.00 0.00 -0.60 0.00 0.00 56.93 57.23 3gtm s PHE 92 Cb -0.15 -2.41 0.00 0.00 0.51 0.00 0.00 43.02 40.97 3gtm s PHE 92 CO 0.09 0.20 0.00 0.41 0.70 0.00 0.00 175.22 176.62 3gtm n GLY 93 N 3.41 0.94 3.77 4.36 0.00 0.13 -4.91 105.19 112.89 3gtm n GLY 93 Ca -0.10 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 3gtm n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gtm s LYS 94 N 4.10 4.57 -0.24 1.61 2.20 -1.26 -4.68 119.74 126.04 3gtm s LYS 94 Ca 0.00 1.53 -0.10 0.00 -0.36 0.00 0.00 55.97 57.04 3gtm s LYS 94 Cb 0.00 -2.95 -0.05 0.00 -1.51 0.00 0.00 37.83 33.32 3gtm s LYS 94 CO 0.00 0.22 0.14 -1.50 -0.36 0.00 0.00 175.35 173.85 3gtm s ILE 95 N -1.41 5.14 -0.08 5.43 2.07 -1.26 -1.90 121.20 129.18 3gtm s ILE 95 Ca 0.48 0.10 -0.13 0.00 -1.41 0.00 0.00 60.65 59.70 3gtm s ILE 95 Cb -0.24 -3.40 -0.05 0.00 0.13 0.00 0.00 42.46 38.90 3gtm s ILE 95 CO 0.31 0.35 0.32 -0.31 -1.91 0.00 0.00 174.94 173.69 3gtm s TYR 96 N 1.14 3.61 -0.23 3.50 1.51 0.15 -4.96 117.35 122.07 3gtm s TYR 96 Ca 0.07 0.76 -0.07 0.00 -1.01 0.00 0.00 57.07 56.82 3gtm s TYR 96 Cb -0.14 -2.24 -0.03 0.00 -0.11 0.00 0.00 41.96 39.44 3gtm s TYR 96 CO 0.05 0.52 0.06 0.08 -1.11 0.00 0.00 175.55 175.15 3gtm s VAL 97 N -0.51 4.35 0.70 0.71 1.01 -1.26 -1.79 120.40 123.61 3gtm s VAL 97 Ca 0.20 -0.17 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 3gtm s VAL 97 Cb -0.14 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.24 3gtm s VAL 97 CO 0.08 0.37 1.07 0.42 0.00 0.00 0.00 175.10 177.04 3gtm s THR 98 N 1.34 3.35 0.37 3.92 -4.23 -0.75 -5.02 115.64 114.63 3gtm s THR 98 Ca 0.05 0.35 -0.10 0.00 -1.18 0.00 0.00 61.69 60.82 3gtm s THR 98 Cb -0.15 -3.42 -0.06 0.00 1.34 0.00 0.00 72.50 70.21 3gtm s THR 98 CO 0.03 -0.53 0.72 -0.54 -0.54 0.00 0.00 174.62 173.76 3gtm s LYS 99 N -5.32 3.76 -0.12 3.99 1.02 -1.26 -4.47 119.74 117.33 3gtm s LYS 99 Ca 0.58 0.38 -0.36 0.00 0.02 0.00 0.00 55.97 56.59 3gtm s LYS 99 Cb -0.11 -2.45 -0.13 0.00 -0.52 0.00 0.00 37.83 34.62 3gtm s LYS 99 CO 0.50 0.03 1.81 -2.30 -0.92 0.00 0.00 175.35 174.48 3gtm n PRO 100 N -1.15 1.86 -4.56 -1.68 -0.02 -1.26 -4.60 135.00 123.58 3gtm n PRO 100 Ca 0.02 0.68 -0.27 0.00 -2.02 0.00 0.00 63.50 61.90 3gtm n PRO 100 Cb 0.54 -2.47 -0.08 0.00 -0.02 0.00 0.00 33.50 31.47 3gtm n PRO 100 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3gtm s MET 101 N 3.66 1.99 -0.05 -0.52 -1.94 -1.26 -2.29 119.30 118.90 3gtm s MET 101 Ca 0.93 -2.23 -0.02 0.00 -1.71 0.00 0.00 55.69 52.66 3gtm s MET 101 Cb -0.81 -0.78 0.03 0.00 2.01 0.00 0.00 34.83 35.29 3gtm s MET 101 CO 0.55 -0.47 0.10 0.08 -0.01 0.00 0.00 175.02 175.27 3gtm s VAL 102 N -3.14 -0.05 -0.42 -6.03 1.01 -0.41 -4.71 120.40 106.66 3gtm s VAL 102 Ca 0.20 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.22 3gtm s VAL 102 Cb 0.02 -0.17 0.04 0.00 0.00 0.00 0.00 36.38 36.27 3gtm s VAL 102 CO 0.12 0.07 0.29 0.21 0.00 0.00 0.00 175.10 175.79 3gtm s ASN 103 N 0.97 5.94 -0.01 3.32 2.47 -1.26 -2.29 114.94 124.08 3gtm s ASN 103 Ca -0.08 -1.12 0.05 0.00 0.42 0.00 0.00 52.86 52.13 3gtm s ASN 103 Cb -0.10 -2.10 -0.01 0.00 -1.45 0.00 0.00 41.25 37.59 3gtm s ASN 103 CO -0.04 -0.49 -0.15 -1.83 -3.72 0.00 0.00 177.10 170.87 3gtm s GLU 104 N 1.59 1.24 0.67 0.43 -1.05 -1.26 -4.97 118.70 115.34 3gtm s GLU 104 Ca 0.03 -0.54 -0.16 0.00 -0.15 0.00 0.00 54.97 54.16 3gtm s GLU 104 Cb -0.21 -1.19 0.00 0.00 -0.44 0.00 0.00 34.13 32.29 3gtm s GLU 104 CO 0.07 0.32 1.16 -1.54 0.95 0.00 0.00 175.26 176.22 3gtm s SER 105 N -0.34 4.82 -0.82 0.83 1.04 -1.26 -3.70 113.70 114.27 3gtm s SER 105 Ca 0.06 2.21 -0.02 0.00 0.48 0.00 0.00 55.95 58.67 3gtm s SER 105 Cb -0.06 -2.57 -0.00 0.00 0.10 0.00 0.00 66.02 63.48 3gtm s SER 105 CO -0.01 -1.83 0.66 0.47 0.98 0.00 0.00 173.24 173.52 3gtm n ASP 106 N -2.31 -6.16 0.00 7.02 8.00 -1.26 -4.97 116.55 116.86 3gtm n ASP 106 Ca 0.12 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 55.03 3gtm n ASP 106 Cb 0.51 -3.39 0.00 0.00 -0.02 0.00 0.00 41.12 38.22 3gtm n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gtm n GLY 107 N -1.71 4.16 0.00 0.44 0.00 -1.24 -5.16 105.19 101.68 3gtm n GLY 107 Ca -0.16 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3gtm n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gtm n VAL 108 N -1.26 0.00 -3.17 1.61 0.31 -1.26 -4.56 118.33 109.99 3gtm n VAL 108 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.88 3gtm n VAL 108 Cb 0.00 -0.74 -0.05 0.00 -0.91 0.00 0.00 33.84 32.15 3gtm n VAL 108 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3gtm s THR 109 N -0.59 4.96 0.58 2.52 2.01 -1.26 -4.31 115.64 119.55 3gtm s THR 109 Ca 0.00 -1.20 -0.20 0.00 0.31 0.00 0.00 61.69 60.60 3gtm s THR 109 Cb 0.00 -4.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 3gtm s THR 109 CO 0.00 -1.06 1.26 -2.28 -0.69 0.00 0.00 174.62 171.85 3gtm s HIS 110 N 2.29 2.35 -0.51 4.92 2.46 -0.97 -4.70 115.29 121.13 3gtm s HIS 110 Ca 0.09 1.48 -0.27 0.00 0.47 0.00 0.00 55.06 56.83 3gtm s HIS 110 Cb -0.25 -3.59 0.03 0.00 -0.13 0.00 0.00 32.58 28.64 3gtm s HIS 110 CO 0.05 -2.45 1.05 0.00 -2.47 0.00 0.00 174.74 170.92 3gtm s ALA 111 N -1.47 3.14 -0.03 1.58 0.00 -1.26 -1.29 121.76 122.43 3gtm s ALA 111 Ca 0.76 -0.78 -0.24 0.00 0.00 0.00 0.00 51.96 51.69 3gtm s ALA 111 Cb -0.34 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 18.91 3gtm s ALA 111 CO 0.38 -2.32 0.72 -1.17 0.00 0.00 0.00 175.76 173.38 3gtm s LEU 112 N 4.28 4.36 0.19 0.00 2.96 -0.97 -4.97 118.68 124.53 3gtm s LEU 112 Ca 0.40 1.28 0.07 0.00 -0.22 0.00 0.00 54.13 55.66 3gtm s LEU 112 Cb -0.09 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.43 3gtm s LEU 112 CO 0.27 -0.07 0.07 -0.31 -1.32 0.00 0.00 176.35 174.99 3gtm s TYR 113 N 0.49 2.97 0.10 5.38 4.12 -1.26 -4.73 117.35 124.42 3gtm s TYR 113 Ca 0.38 -0.10 -0.34 0.00 0.02 0.00 0.00 57.07 57.03 3gtm s TYR 113 Cb -0.19 -1.41 -0.14 0.00 -1.52 0.00 0.00 41.96 38.70 3gtm s TYR 113 CO 0.20 0.53 1.56 -1.00 0.02 0.00 0.00 175.55 176.86 3gtm h PRO 114 N 2.41 -0.74 -0.78 -1.71 0.13 -1.97 -2.61 132.00 126.72 3gtm h PRO 114 Ca -0.47 0.05 0.14 0.00 -0.87 0.00 0.00 66.00 64.85 3gtm h PRO 114 Cb 1.21 0.17 -0.14 0.00 0.13 0.00 0.00 31.00 32.37 3gtm h PRO 114 CO 0.60 -0.50 -0.32 0.37 -0.23 0.00 0.00 178.00 177.93 3gtm h GLN 115 N -0.77 -0.06 -0.92 0.86 5.75 -1.95 0.23 115.11 118.24 3gtm h GLN 115 Ca -0.01 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 3gtm h GLN 115 Cb 0.77 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.28 3gtm h GLN 115 CO -0.26 -0.04 0.60 1.49 -2.65 0.00 0.00 178.83 177.97 3gtm h GLU 116 N -0.07 1.12 -0.16 1.69 4.81 -1.86 -2.08 114.58 118.03 3gtm h GLU 116 Ca 0.31 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 3gtm h GLU 116 Cb 0.58 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3gtm h GLU 116 CO -0.82 0.74 -0.03 0.00 -0.73 0.00 0.00 179.01 178.17 3gtm h ALA 117 N 1.46 1.66 0.00 2.92 0.00 -0.20 -0.98 119.26 124.12 3gtm h ALA 117 Ca 0.36 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 3gtm h ALA 117 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3gtm h ALA 117 CO -0.11 0.26 -0.82 0.00 0.00 0.00 0.00 179.25 178.58 3gtm h ARG 118 N 0.23 0.00 0.02 0.00 3.08 -0.93 0.51 114.38 117.29 3gtm h ARG 118 Ca 0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3gtm h ARG 118 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3gtm h ARG 118 CO 0.01 0.76 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.59 3gtm h LEU 119 N 0.00 -0.02 -1.54 3.04 3.38 -0.88 -3.31 115.31 115.97 3gtm h LEU 119 Ca -0.02 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.28 3gtm h LEU 119 Cb 1.61 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.37 3gtm h LEU 119 CO 0.10 0.69 0.00 0.54 0.09 0.00 0.00 178.44 179.86 3gtm n ARG 120 N -4.76 2.11 -3.56 1.13 1.74 -0.44 -4.92 116.66 107.96 3gtm n ARG 120 Ca -0.09 -1.30 -0.26 0.00 -0.77 0.00 0.00 57.85 55.43 3gtm n ARG 120 Cb 0.34 -1.45 0.05 0.00 -1.02 0.00 0.00 32.46 30.39 3gtm n ARG 120 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3gtm n ASN 121 N 0.44 -5.44 -3.39 0.55 5.03 -1.13 -4.78 115.26 106.54 3gtm n ASN 121 Ca 0.12 -0.92 -0.14 0.00 0.87 0.00 0.00 54.58 54.51 3gtm n ASN 121 Cb 0.41 -3.94 -0.01 0.00 -1.02 0.00 0.00 39.78 35.22 3gtm n ASN 121 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3gtm n LEU 122 N -3.92 0.00 -4.05 3.41 4.77 0.18 -4.38 117.00 113.01 3gtm n LEU 122 Ca -0.10 -1.50 -0.32 0.00 -0.03 0.00 0.00 56.01 54.06 3gtm n LEU 122 Cb 0.60 0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.60 3gtm n LEU 122 CO 0.65 -0.34 -0.48 -0.89 -1.33 0.00 0.00 177.39 175.00 3gtm s THR 123 N -1.59 1.89 -1.07 -5.08 2.01 -1.26 -1.31 115.64 109.22 3gtm s THR 123 Ca 0.09 -1.16 -0.24 0.00 0.31 0.00 0.00 61.69 60.69 3gtm s THR 123 Cb -0.01 -1.91 -0.08 0.00 0.01 0.00 0.00 72.50 70.51 3gtm s THR 123 CO 0.06 0.21 1.97 -0.47 -0.69 0.00 0.00 174.62 175.70 3gtm s TYR 124 N 1.29 1.83 -0.07 4.92 5.04 -1.16 -4.85 117.35 124.35 3gtm s TYR 124 Ca -0.02 0.69 -0.04 0.00 -2.44 0.00 0.00 57.07 55.26 3gtm s TYR 124 Cb -0.16 -3.95 0.03 0.00 0.35 0.00 0.00 41.96 38.22 3gtm s TYR 124 CO -0.09 -1.36 0.17 -1.54 -1.34 0.00 0.00 175.55 171.39 3gtm s SER 125 N 7.29 -0.16 0.49 4.32 1.04 -1.26 -0.84 113.70 124.58 3gtm s SER 125 Ca 0.71 0.34 0.08 0.00 0.48 0.00 0.00 55.95 57.56 3gtm s SER 125 Cb -0.03 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.41 3gtm s SER 125 CO 0.09 -0.11 0.68 -0.94 0.98 0.00 0.00 173.24 173.93 3gtm s SER 126 N 0.71 5.39 0.36 7.02 1.04 -1.08 -4.03 113.70 123.11 3gtm s SER 126 Ca -0.05 -0.58 -0.05 0.00 0.48 0.00 0.00 55.95 55.74 3gtm s SER 126 Cb -0.07 -0.26 -0.05 0.00 0.10 0.00 0.00 66.02 65.75 3gtm s SER 126 CO -0.04 -1.03 0.64 -0.83 0.98 0.00 0.00 173.24 172.96 3gtm s GLY 127 N -4.49 1.74 -0.25 7.32 0.00 -1.26 -1.37 107.32 109.00 3gtm s GLY 127 Ca 0.58 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.79 3gtm s GLY 127 CO 0.36 -0.40 -0.11 1.08 0.00 0.00 0.00 173.10 174.03 3gtm s LEU 128 N -3.93 3.23 0.07 0.66 1.02 0.61 -1.81 118.68 118.52 3gtm s LEU 128 Ca 0.45 -1.18 0.03 0.00 0.02 0.00 0.00 54.13 53.46 3gtm s LEU 128 Cb -0.10 -1.57 -0.04 0.00 0.02 0.00 0.00 46.19 44.50 3gtm s LEU 128 CO 0.34 -0.16 0.05 -0.36 0.02 0.00 0.00 176.35 176.24 3gtm s PHE 129 N 1.18 3.13 -0.01 0.29 2.99 -0.74 -0.29 117.98 124.53 3gtm s PHE 129 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 56.93 56.94 3gtm s PHE 129 Cb -0.18 -1.61 0.02 0.00 0.00 0.00 0.00 43.02 41.24 3gtm s PHE 129 CO -0.06 0.51 0.01 0.08 -0.00 0.00 0.00 175.22 175.76 3gtm s VAL 130 N -1.32 0.01 0.03 -0.44 1.01 -0.42 0.31 120.40 119.58 3gtm s VAL 130 Ca 0.27 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 3gtm s VAL 130 Cb -0.12 -0.08 -0.08 0.00 0.00 0.00 0.00 36.38 36.09 3gtm s VAL 130 CO 0.19 0.06 1.87 -1.81 0.00 0.00 0.00 175.10 175.41 3gtm s ASP 131 N 0.62 6.50 -0.11 3.32 1.01 -0.80 -0.43 116.67 126.79 3gtm s ASP 131 Ca -0.05 2.58 0.03 0.00 0.71 0.00 0.00 52.55 55.81 3gtm s ASP 131 Cb -0.08 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.32 3gtm s ASP 131 CO -0.02 -1.01 -0.18 -0.69 0.21 0.00 0.00 175.17 173.48 3gtm s VAL 132 N 4.06 1.71 0.55 -1.27 1.01 -1.26 0.21 120.40 125.40 3gtm s VAL 132 Ca 0.84 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 62.08 3gtm s VAL 132 Cb -0.41 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.49 3gtm s VAL 132 CO 0.38 0.48 0.41 -0.54 0.00 0.00 0.00 175.10 175.83 3gtm s LYS 133 N 0.74 2.25 0.00 2.72 3.01 0.03 -4.85 119.74 123.64 3gtm s LYS 133 Ca -0.11 -2.01 0.00 0.00 -1.01 0.00 0.00 55.97 52.84 3gtm s LYS 133 Cb -0.16 -2.11 0.00 0.00 -1.01 0.00 0.00 37.83 34.55 3gtm s LYS 133 CO 0.02 -0.63 0.00 0.36 0.51 0.00 0.00 175.35 175.61 3gtm n LYS 134 N -1.78 0.00 -1.03 1.68 0.00 -1.26 -3.48 118.16 112.29 3gtm n LYS 134 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 3gtm n LYS 134 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.67 3gtm n LYS 134 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3gtm n LYS 164 N 0.00 0.00 -5.18 -1.58 0.00 0.43 -5.10 118.16 106.73 3gtm n LYS 164 Ca 0.00 0.14 -0.32 0.00 -0.00 0.00 0.00 58.31 58.13 3gtm n LYS 164 Cb 0.00 -2.44 -0.16 0.00 -0.00 0.00 0.00 35.03 32.44 3gtm n LYS 164 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3gtm s VAL 165 N -2.00 2.29 0.05 0.58 1.01 -1.04 -4.88 120.40 116.42 3gtm s VAL 165 Ca 0.00 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 3gtm s VAL 165 Cb 0.00 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 3gtm s VAL 165 CO 0.00 0.57 1.03 0.12 0.00 0.00 0.00 175.10 176.82 3gtm s PHE 166 N -0.26 3.64 -0.04 5.22 5.36 -1.26 -1.29 117.98 129.35 3gtm s PHE 166 Ca -0.00 1.64 0.02 0.00 -0.96 0.00 0.00 56.93 57.62 3gtm s PHE 166 Cb -0.13 -3.18 -0.04 0.00 -0.34 0.00 0.00 43.02 39.33 3gtm s PHE 166 CO 0.03 -0.27 -0.01 -0.89 -1.46 0.00 0.00 175.22 172.62 3gtm n ILE 167 N 3.50 0.27 0.00 3.12 5.41 0.60 -4.74 119.36 127.53 3gtm n ILE 167 Ca 0.05 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.67 3gtm n ILE 167 Cb 0.49 -0.80 0.00 0.00 -0.71 0.00 0.00 39.64 38.62 3gtm n ILE 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gtm n GLY 168 N 2.99 0.41 3.42 7.39 0.00 -1.24 -4.36 105.19 113.80 3gtm n GLY 168 Ca -0.07 -1.31 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 3gtm n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gtm s ARG 169 N -1.93 3.54 -0.28 1.61 0.52 -1.26 -0.28 118.95 120.86 3gtm s ARG 169 Ca 0.00 -0.57 -0.09 0.00 -0.52 0.00 0.00 55.73 54.55 3gtm s ARG 169 Cb 0.00 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 3gtm s ARG 169 CO 0.00 0.04 0.13 -1.17 0.02 0.00 0.00 175.30 174.32 3gtm s LEU 170 N 0.88 3.83 0.36 2.53 2.96 -0.47 -4.41 118.68 124.36 3gtm s LEU 170 Ca -0.01 -0.27 -0.27 0.00 -0.22 0.00 0.00 54.13 53.36 3gtm s LEU 170 Cb -0.15 -2.00 -0.12 0.00 0.50 0.00 0.00 46.19 44.42 3gtm s LEU 170 CO 0.01 -0.10 1.15 -2.65 -1.32 0.00 0.00 176.35 173.45 3gtm n PRO 171 N 4.98 1.72 -4.75 0.98 -0.02 -1.26 -2.65 135.00 134.01 3gtm n PRO 171 Ca -0.15 0.61 -0.33 0.00 -2.02 0.00 0.00 63.50 61.61 3gtm n PRO 171 Cb 0.51 -2.15 -0.13 0.00 -0.02 0.00 0.00 33.50 31.71 3gtm n PRO 171 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gtm s ILE 172 N -1.14 3.34 0.06 4.25 1.01 -0.02 -4.89 121.20 123.80 3gtm s ILE 172 Ca 0.59 -0.61 -0.31 0.00 0.00 0.00 0.00 60.65 60.33 3gtm s ILE 172 Cb -0.59 -2.35 -0.06 0.00 0.01 0.00 0.00 42.46 39.47 3gtm s ILE 172 CO 0.60 0.58 1.24 -0.32 0.00 0.00 0.00 174.94 177.04 3gtm s MET 173 N -0.52 4.40 0.62 2.79 -2.45 -1.26 -4.48 119.30 118.40 3gtm s MET 173 Ca 0.07 1.83 -0.18 0.00 -1.25 0.00 0.00 55.69 56.16 3gtm s MET 173 Cb -0.12 -3.35 -0.02 0.00 1.25 0.00 0.00 34.83 32.59 3gtm s MET 173 CO 0.02 -0.32 1.18 -0.51 1.05 0.00 0.00 175.02 176.44 3gtm s LEU 174 N 1.21 3.58 0.00 4.11 1.02 -0.94 -2.65 118.68 125.01 3gtm s LEU 174 Ca 0.60 2.30 0.00 0.00 0.02 0.00 0.00 54.13 57.04 3gtm s LEU 174 Cb -0.31 -4.59 0.00 0.00 0.02 0.00 0.00 46.19 41.32 3gtm s LEU 174 CO 0.29 -1.65 0.00 -1.14 0.02 0.00 0.00 176.35 173.87 3gtm n ARG 175 N -1.84 -0.12 -2.18 1.70 3.00 -1.26 -2.37 116.66 113.59 3gtm n ARG 175 Ca 0.13 0.03 -0.27 0.00 -0.00 0.00 0.00 57.85 57.73 3gtm n ARG 175 Cb 0.50 -3.65 0.05 0.00 0.00 0.00 0.00 32.46 29.37 3gtm n ARG 175 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3gtm s SER 176 N -2.41 5.24 0.28 6.15 1.04 -1.09 -4.60 113.70 118.31 3gtm s SER 176 Ca 0.00 0.74 0.05 0.00 0.48 0.00 0.00 55.95 57.22 3gtm s SER 176 Cb 0.00 -1.55 0.76 0.00 0.10 0.00 0.00 66.02 65.33 3gtm s SER 176 CO 0.00 -1.36 1.35 0.29 0.98 0.00 0.00 173.24 174.51 3gtm n LYS 177 N -2.84 -0.07 0.03 4.02 5.02 -1.26 -2.35 118.16 120.71 3gtm n LYS 177 Ca 0.06 1.27 -0.02 0.00 -2.02 0.00 0.00 58.31 57.61 3gtm n LYS 177 Cb 0.59 -2.07 -0.01 0.00 -0.02 0.00 0.00 35.03 33.52 3gtm n LYS 177 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3gtm h ASN 178 N 0.00 -0.11 -0.36 4.39 4.21 -1.92 -3.46 115.58 118.33 3gtm h ASN 178 Ca 0.56 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 57.52 3gtm h ASN 178 Cb 1.24 0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 38.46 3gtm h ASN 178 CO -0.78 0.10 0.66 0.00 -1.29 0.00 0.00 177.43 176.12 3gtm n TYR 180 N 3.80 0.54 0.16 0.00 4.02 -1.26 -0.51 117.16 123.91 3gtm n TYR 180 Ca 0.28 1.15 0.18 0.00 -0.01 0.00 0.00 57.90 59.50 3gtm n TYR 180 Cb -0.03 -1.17 0.70 0.00 -0.02 0.00 0.00 39.34 38.81 3gtm n TYR 180 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3gtm h LEU 181 N 0.00 0.00 -0.31 7.72 3.38 -1.91 0.11 115.31 124.30 3gtm h LEU 181 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 3gtm h LEU 181 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3gtm h LEU 181 CO -0.91 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.08 3gtm n SER 182 N -3.33 0.25 -2.49 -0.43 3.41 0.34 -3.01 113.62 108.35 3gtm n SER 182 Ca 0.05 0.57 -0.19 0.00 -0.26 0.00 0.00 58.87 59.04 3gtm n SER 182 Cb 0.65 -0.62 0.02 0.00 -0.26 0.00 0.00 64.21 64.00 3gtm n SER 182 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gtm n GLU 183 N -1.78 2.65 -4.51 4.33 1.02 0.37 -5.02 120.64 117.71 3gtm n GLU 183 Ca 0.02 -4.00 -0.21 0.00 -0.02 0.00 0.00 57.16 52.96 3gtm n GLU 183 Cb 0.16 -1.91 -0.15 0.00 -0.02 0.00 0.00 31.44 29.52 3gtm n GLU 183 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gtm s ALA 184 N -3.47 0.98 1.21 0.62 0.00 -1.17 -5.11 121.76 114.82 3gtm s ALA 184 Ca 0.41 -0.47 -0.16 0.00 0.00 0.00 0.00 51.96 51.73 3gtm s ALA 184 Cb 0.41 -0.28 0.24 0.00 0.00 0.00 0.00 23.12 23.49 3gtm s ALA 184 CO -0.07 0.22 0.85 0.25 0.00 0.00 0.00 175.76 177.01 3gtm n THR 185 N 2.93 0.00 0.17 0.00 -2.24 -1.26 -4.80 114.28 109.08 3gtm n THR 185 Ca -0.15 -0.36 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 3gtm n THR 185 Cb 0.55 -1.16 -0.06 0.00 -2.10 0.00 0.00 70.33 67.56 3gtm n THR 185 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3gtm h GLU 186 N 0.00 -0.47 0.00 -0.78 4.81 -2.00 -2.32 114.58 113.82 3gtm h GLU 186 Ca -0.32 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3gtm h GLU 186 Cb 0.99 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3gtm h GLU 186 CO 0.21 -0.19 0.00 -1.13 -0.73 0.00 0.00 179.01 177.17 3gtm n SER 187 N -5.11 0.00 0.05 1.04 3.41 -1.26 -0.75 113.62 111.00 3gtm n SER 187 Ca -0.08 0.21 -0.20 0.00 -0.26 0.00 0.00 58.87 58.54 3gtm n SER 187 Cb 0.26 -0.28 -0.14 0.00 -0.26 0.00 0.00 64.21 63.78 3gtm n SER 187 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3gtm h ASP 188 N 0.00 0.46 0.55 4.04 1.82 -1.85 -3.15 116.42 118.30 3gtm h ASP 188 Ca 0.00 -0.76 -0.23 0.00 -0.39 0.00 0.00 57.03 55.65 3gtm h ASP 188 Cb 0.04 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 39.90 3gtm h ASP 188 CO 0.00 1.65 -1.03 -0.07 -1.61 0.00 0.00 179.24 178.18 3gtm h LEU 189 N 0.08 0.38 -0.85 2.28 3.38 -0.39 -2.97 115.31 117.24 3gtm h LEU 189 Ca -0.33 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.28 3gtm h LEU 189 Cb 2.06 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.65 3gtm h LEU 189 CO 0.15 1.20 0.47 1.88 0.09 0.00 0.00 178.44 182.22 3gtm h TYR 190 N 0.12 1.16 0.00 1.13 -1.99 -1.50 -0.44 116.97 115.45 3gtm h TYR 190 Ca -0.08 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.61 3gtm h TYR 190 Cb 1.71 -0.37 -0.00 0.00 2.00 0.00 0.00 36.73 40.07 3gtm h TYR 190 CO 0.05 0.80 -0.07 0.87 -0.00 0.00 0.00 178.16 179.81 3gtm h LYS 191 N 1.18 0.00 -0.10 4.88 1.57 -1.53 -2.80 116.57 119.76 3gtm h LYS 191 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3gtm h LYS 191 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3gtm h LYS 191 CO -0.05 0.07 0.00 1.28 -0.57 0.00 0.00 179.45 180.18 3gtm n LEU 192 N -4.09 1.95 0.00 2.94 4.77 -0.22 -4.91 117.00 117.44 3gtm n LEU 192 Ca -0.03 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 3gtm n LEU 192 Cb 0.15 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3gtm n LEU 192 CO 0.32 0.37 0.00 0.29 -1.33 0.00 0.00 177.39 177.03 3gtm n LYS 193 N 0.51 0.00 -3.28 3.23 5.02 -0.94 -4.78 118.16 117.93 3gtm n LYS 193 Ca 0.17 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.08 3gtm n LYS 193 Cb 0.40 -3.33 -0.06 0.00 -0.02 0.00 0.00 35.03 32.02 3gtm n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gtm s GLU 194 N -0.41 4.21 0.02 1.97 0.41 -0.98 -4.81 118.70 119.11 3gtm s GLU 194 Ca 0.00 0.71 -0.30 0.00 -0.41 0.00 0.00 54.97 54.97 3gtm s GLU 194 Cb 0.00 -3.26 -0.06 0.00 -1.78 0.00 0.00 34.13 29.03 3gtm s GLU 194 CO 0.00 0.58 1.35 0.00 -0.49 0.00 0.00 175.26 176.71 3gtm h PRO 196 N 7.48 0.00 0.00 0.00 0.13 -1.92 -0.19 132.00 137.51 3gtm h PRO 196 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3gtm h PRO 196 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3gtm h PRO 196 CO 0.88 0.00 -0.70 0.74 -0.23 0.00 0.00 178.00 178.70 3gtm h PHE 197 N 0.00 0.00 -2.44 1.56 -1.00 -2.00 -3.47 116.94 109.59 3gtm h PHE 197 Ca 0.00 0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.24 3gtm h PHE 197 Cb 0.03 0.00 0.04 0.00 3.61 0.00 0.00 35.95 39.62 3gtm h PHE 197 CO 0.00 0.00 1.12 -3.47 -1.61 0.00 0.00 178.31 174.35 3gtm n ASP 198 N -2.25 4.00 0.11 2.17 4.64 -0.09 -4.89 116.55 120.24 3gtm n ASP 198 Ca 0.03 0.98 -0.20 0.00 -1.38 0.00 0.00 54.79 54.22 3gtm n ASP 198 Cb 0.46 -1.53 -0.15 0.00 -1.04 0.00 0.00 41.12 38.87 3gtm n ASP 198 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3gtm h MET 199 N 8.76 0.37 0.00 -0.67 -0.00 -1.91 -3.50 114.93 117.98 3gtm h MET 199 Ca -0.47 -0.64 0.00 0.00 -0.00 0.00 0.00 59.70 58.59 3gtm h MET 199 Cb 1.23 0.24 0.00 0.00 -0.00 0.00 0.00 31.60 33.07 3gtm h MET 199 CO 0.94 1.29 0.00 0.41 -0.00 0.00 0.00 176.91 179.55 3gtm n GLY 200 N 1.66 -2.20 0.00 -3.00 0.00 -1.26 -4.83 105.19 95.55 3gtm n GLY 200 Ca -0.15 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.38 3gtm n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtm n GLY 201 N -0.55 0.58 3.87 -0.02 0.00 -1.00 -4.93 105.19 103.14 3gtm n GLY 201 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3gtm n GLY 201 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gtm s TYR 202 N -2.00 2.87 0.11 1.61 -0.85 -1.26 -4.73 117.35 113.09 3gtm s TYR 202 Ca 0.00 -0.34 0.06 0.00 -0.52 0.00 0.00 57.07 56.27 3gtm s TYR 202 Cb 0.00 -1.90 -0.04 0.00 0.38 0.00 0.00 41.96 40.40 3gtm s TYR 202 CO 0.00 0.09 -0.06 -0.06 -1.52 0.00 0.00 175.55 174.00 3gtm s PHE 203 N -2.34 2.82 -0.34 -3.49 0.40 0.82 -2.22 117.98 113.63 3gtm s PHE 203 Ca 0.43 -0.12 -0.11 0.00 -0.60 0.00 0.00 56.93 56.53 3gtm s PHE 203 Cb -0.06 -1.46 -0.00 0.00 0.51 0.00 0.00 43.02 42.02 3gtm s PHE 203 CO 0.27 0.45 0.20 0.42 0.70 0.00 0.00 175.22 177.27 3gtm s ILE 204 N -1.29 4.87 -0.17 0.64 1.01 -1.26 -0.09 121.20 124.92 3gtm s ILE 204 Ca 0.23 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.44 3gtm s ILE 204 Cb -0.11 -3.55 0.01 0.00 0.01 0.00 0.00 42.46 38.82 3gtm s ILE 204 CO 0.15 -0.04 -0.20 -0.63 0.00 0.00 0.00 174.94 174.22 3gtm s ILE 205 N 1.64 2.12 -0.46 2.92 1.09 -1.21 -2.98 121.20 124.32 3gtm s ILE 205 Ca 0.05 -0.94 0.00 0.00 -1.10 0.00 0.00 60.65 58.66 3gtm s ILE 205 Cb -0.18 -1.87 0.00 0.00 -1.06 0.00 0.00 42.46 39.35 3gtm s ILE 205 CO 0.08 0.54 0.00 0.59 -0.10 0.00 0.00 174.94 176.05 3gtm n ASN 206 N 4.40 -1.67 0.00 3.58 3.02 -0.64 -1.74 115.26 122.21 3gtm n ASN 206 Ca -0.20 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 3gtm n ASN 206 Cb 0.51 -1.69 0.00 0.00 -0.61 0.00 0.00 39.78 37.99 3gtm n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gtm n GLY 207 N -0.34 1.20 3.19 7.41 0.00 -0.43 -4.20 105.19 112.02 3gtm n GLY 207 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3gtm n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gtm s SER 208 N -1.90 3.13 -0.48 1.61 1.04 -0.71 -4.58 113.70 111.81 3gtm s SER 208 Ca 0.00 -0.59 -0.26 0.00 0.48 0.00 0.00 55.95 55.58 3gtm s SER 208 Cb 0.00 -1.44 -0.07 0.00 0.10 0.00 0.00 66.02 64.61 3gtm s SER 208 CO 0.00 0.10 2.41 -0.62 0.98 0.00 0.00 173.24 176.11 3gtm n GLU 209 N 3.91 1.10 -3.43 4.02 1.02 -1.26 -3.31 120.64 122.69 3gtm n GLU 209 Ca -0.20 0.05 -0.38 0.00 -0.02 0.00 0.00 57.16 56.61 3gtm n GLU 209 Cb 0.52 -3.36 -0.06 0.00 -0.02 0.00 0.00 31.44 28.52 3gtm n GLU 209 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3gtm s LYS 210 N 8.11 3.99 -0.09 3.49 -0.14 0.88 0.80 119.74 136.78 3gtm s LYS 210 Ca 1.00 0.50 0.04 0.00 -1.36 0.00 0.00 55.97 56.15 3gtm s LYS 210 Cb -0.23 -3.21 -0.00 0.00 -1.68 0.00 0.00 37.83 32.71 3gtm s LYS 210 CO 0.28 0.67 -0.24 0.08 -0.76 0.00 0.00 175.35 175.38 3gtm s VAL 211 N -1.11 2.01 -0.25 3.17 1.01 0.43 -0.13 120.40 125.54 3gtm s VAL 211 Ca 0.26 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 60.97 3gtm s VAL 211 Cb -0.17 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.48 3gtm s VAL 211 CO 0.15 0.55 0.93 -0.76 0.00 0.00 0.00 175.10 175.98 3gtm s LEU 212 N 0.25 4.08 -0.20 3.92 1.43 -1.26 -0.52 118.68 126.38 3gtm s LEU 212 Ca -0.16 1.16 -0.16 0.00 -1.03 0.00 0.00 54.13 53.94 3gtm s LEU 212 Cb -0.17 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 3gtm s LEU 212 CO 0.08 -0.62 0.41 -0.63 0.23 0.00 0.00 176.35 175.82 3gtm s ILE 213 N 3.06 5.19 0.12 -0.59 -1.09 -1.26 -4.80 121.20 121.83 3gtm s ILE 213 Ca 0.39 0.73 -0.34 0.00 -2.23 0.00 0.00 60.65 59.20 3gtm s ILE 213 Cb -0.15 -3.74 -0.14 0.00 -1.58 0.00 0.00 42.46 36.86 3gtm s ILE 213 CO 0.08 0.25 1.61 0.00 -1.23 0.00 0.00 174.94 175.65 3gtm n ALA 214 N 4.46 1.18 -3.65 9.38 0.00 -1.23 -4.80 120.51 125.85 3gtm n ALA 214 Ca -0.08 0.43 -0.39 0.00 0.00 0.00 0.00 53.44 53.40 3gtm n ALA 214 Cb 0.51 -2.36 -0.09 0.00 0.00 0.00 0.00 19.45 17.51 3gtm n ALA 214 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3gtm s GLN 215 N 1.37 2.53 -0.00 0.00 -1.52 -0.07 -1.00 119.66 120.98 3gtm s GLN 215 Ca 0.81 -2.19 -0.30 0.00 -1.95 0.00 0.00 55.36 51.74 3gtm s GLN 215 Cb -0.70 -3.82 -0.07 0.00 -0.22 0.00 0.00 33.01 28.20 3gtm s GLN 215 CO 0.40 -1.17 1.74 -2.00 -0.25 0.00 0.00 175.29 174.01 3gtm s GLU 216 N 0.57 4.17 0.14 2.91 2.12 0.17 -2.49 118.70 126.29 3gtm s GLU 216 Ca 0.12 2.34 0.02 0.00 0.36 0.00 0.00 54.97 57.81 3gtm s GLU 216 Cb -0.21 -3.94 -0.04 0.00 0.26 0.00 0.00 34.13 30.19 3gtm s GLU 216 CO -0.04 -0.85 -0.04 -0.98 -0.54 0.00 0.00 175.26 172.81 3gtm s ARG 217 N 3.82 1.00 0.20 4.30 1.04 -0.32 -4.45 118.95 124.55 3gtm s ARG 217 Ca 0.77 -1.45 -0.30 0.00 -1.04 0.00 0.00 55.73 53.72 3gtm s ARG 217 Cb -0.37 -0.31 -0.09 0.00 -2.04 0.00 0.00 34.95 32.14 3gtm s ARG 217 CO 0.33 -0.05 1.27 0.45 -0.04 0.00 0.00 175.30 177.26 3gtm s SER 218 N -3.13 6.96 0.51 -2.89 0.15 -1.26 -0.84 113.70 113.20 3gtm s SER 218 Ca 0.18 2.36 -0.21 0.00 0.70 0.00 0.00 55.95 58.98 3gtm s SER 218 Cb 0.05 -2.61 -0.06 0.00 -1.71 0.00 0.00 66.02 61.69 3gtm s SER 218 CO 0.00 -0.46 1.18 0.00 1.20 0.00 0.00 173.24 175.16 3gtm s ALA 219 N -0.05 2.82 0.13 5.45 0.00 -0.31 -4.77 121.76 125.03 3gtm s ALA 219 Ca 0.55 0.96 0.02 0.00 0.00 0.00 0.00 51.96 53.49 3gtm s ALA 219 Cb -0.35 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.38 3gtm s ALA 219 CO 0.39 -0.84 0.15 0.41 0.00 0.00 0.00 175.76 175.86 3gtm n GLY 220 N 0.41 2.29 3.87 0.00 0.00 -1.26 -4.66 105.19 105.85 3gtm n GLY 220 Ca 0.10 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 3gtm n GLY 220 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gtm n ASN 221 N -2.55 -4.43 -3.75 1.61 4.13 0.13 -4.94 115.26 105.46 3gtm n ASN 221 Ca 0.02 -0.77 -0.15 0.00 1.68 0.00 0.00 54.58 55.35 3gtm n ASN 221 Cb 0.14 -3.96 -0.16 0.00 -1.54 0.00 0.00 39.78 34.26 3gtm n ASN 221 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3gtm s ILE 222 N -3.35 -0.07 0.09 2.41 1.01 -1.26 -4.30 121.20 115.72 3gtm s ILE 222 Ca 0.58 0.25 -0.27 0.00 0.00 0.00 0.00 60.65 61.20 3gtm s ILE 222 Cb -0.29 -0.13 -0.06 0.00 0.01 0.00 0.00 42.46 41.99 3gtm s ILE 222 CO 0.82 0.10 0.86 -0.69 0.00 0.00 0.00 174.94 176.04 3gtm s VAL 223 N 1.31 4.58 -0.09 2.92 1.01 -1.26 -4.32 120.40 124.56 3gtm s VAL 223 Ca -0.06 1.85 -0.03 0.00 0.00 0.00 0.00 61.98 63.74 3gtm s VAL 223 Cb -0.13 -4.22 0.05 0.00 0.00 0.00 0.00 36.38 32.08 3gtm s VAL 223 CO -0.04 0.35 0.15 -1.10 0.00 0.00 0.00 175.10 174.46 3gtm s GLN 224 N -0.12 0.03 -0.03 2.72 -0.21 -1.02 -4.97 119.66 116.05 3gtm s GLN 224 Ca 0.42 0.49 -0.21 0.00 0.02 0.00 0.00 55.36 56.08 3gtm s GLN 224 Cb -0.22 -0.44 -0.05 0.00 1.00 0.00 0.00 33.01 33.30 3gtm s GLN 224 CO 0.27 -0.35 0.61 0.14 -2.12 0.00 0.00 175.29 173.84 3gtm s VAL 225 N 2.27 4.96 0.08 1.09 -7.23 -1.26 -1.55 120.40 118.77 3gtm s VAL 225 Ca 0.04 1.27 0.05 0.00 -1.81 0.00 0.00 61.98 61.52 3gtm s VAL 225 Cb -0.12 -3.95 -0.03 0.00 0.56 0.00 0.00 36.38 32.84 3gtm s VAL 225 CO -0.06 0.37 -0.13 -0.36 -0.31 0.00 0.00 175.10 174.61 3gtm s PHE 226 N 0.10 1.21 -0.26 2.82 2.99 0.10 -1.45 117.98 123.50 3gtm s PHE 226 Ca 0.32 -0.51 -0.12 0.00 0.00 0.00 0.00 56.93 56.62 3gtm s PHE 226 Cb -0.18 -0.67 -0.05 0.00 0.00 0.00 0.00 43.02 42.12 3gtm s PHE 226 CO 0.17 0.06 0.22 0.15 -0.00 0.00 0.00 175.22 175.82 3gtm s LYS 227 N -2.09 4.01 0.85 0.44 1.02 -1.26 -0.33 119.74 122.38 3gtm s LYS 227 Ca 0.01 -0.23 -0.12 0.00 0.02 0.00 0.00 55.97 55.65 3gtm s LYS 227 Cb -0.08 -3.61 0.10 0.00 -0.52 0.00 0.00 37.83 33.72 3gtm s LYS 227 CO 0.02 -0.10 1.17 0.15 -0.92 0.00 0.00 175.35 175.67 3gtm s LYS 228 N 1.54 1.65 0.00 1.68 1.02 -0.92 -5.01 119.74 119.70 3gtm s LYS 228 Ca 0.09 0.14 0.00 0.00 0.02 0.00 0.00 55.97 56.22 3gtm s LYS 228 Cb -0.15 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 3gtm s LYS 228 CO 0.09 -1.82 0.00 0.00 -0.92 0.00 0.00 175.35 172.70 3gtm n ALA 229 N -3.48 0.00 0.07 5.17 0.00 -1.26 -4.93 120.51 116.08 3gtm n ALA 229 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.31 3gtm n ALA 229 Cb 0.60 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.91 3gtm n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtm h ALA 230 N -2.00 0.19 -0.73 0.00 0.00 -1.97 -3.37 119.26 111.39 3gtm h ALA 230 Ca 0.00 -1.14 -0.74 0.00 0.00 0.00 0.00 54.91 53.03 3gtm h ALA 230 Cb 0.00 0.41 -0.12 0.00 0.00 0.00 0.00 17.79 18.08 3gtm h ALA 230 CO 0.00 1.06 2.27 -2.30 0.00 0.00 0.00 179.25 180.28 3gtm n PRO 231 N -3.55 3.39 -3.62 0.00 -0.02 -1.26 -4.89 135.00 125.05 3gtm n PRO 231 Ca -0.23 -3.30 -0.13 0.00 -2.02 0.00 0.00 63.50 57.82 3gtm n PRO 231 Cb 1.07 -3.04 -0.07 0.00 -0.02 0.00 0.00 33.50 31.44 3gtm n PRO 231 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3gtm s SER 232 N 1.70 -0.69 0.25 2.55 0.15 -1.26 -5.04 113.70 111.37 3gtm s SER 232 Ca 0.42 1.28 0.06 0.00 0.70 0.00 0.00 55.95 58.41 3gtm s SER 232 Cb 0.10 1.28 0.30 0.00 -1.71 0.00 0.00 66.02 65.98 3gtm s SER 232 CO -0.02 -0.26 1.59 1.55 1.20 0.00 0.00 173.24 177.30 3gtm h PRO 233 N 4.67 0.19 -6.97 5.44 0.13 -1.91 -3.45 132.00 130.10 3gtm h PRO 233 Ca -0.29 -0.12 -0.51 0.00 -0.87 0.00 0.00 66.00 64.21 3gtm h PRO 233 Cb 1.16 0.02 0.06 0.00 0.13 0.00 0.00 31.00 32.36 3gtm h PRO 233 CO 0.09 0.72 0.50 0.42 -0.23 0.00 0.00 178.00 179.49 3gtm s ILE 234 N -3.78 3.14 -0.03 -3.56 1.09 -1.26 -1.09 121.20 115.71 3gtm s ILE 234 Ca -0.03 0.92 -0.03 0.00 -1.10 0.00 0.00 60.65 60.40 3gtm s ILE 234 Cb 0.12 -3.49 -0.01 0.00 -1.06 0.00 0.00 42.46 38.02 3gtm s ILE 234 CO 0.79 0.05 -0.05 -0.24 -0.10 0.00 0.00 174.94 175.38 3gtm n SER 235 N -0.14 0.35 -4.39 3.58 2.88 -0.33 -4.71 113.62 110.86 3gtm n SER 235 Ca 0.05 0.15 -0.24 0.00 -1.33 0.00 0.00 58.87 57.51 3gtm n SER 235 Cb 0.47 -0.55 -0.10 0.00 -0.75 0.00 0.00 64.21 63.28 3gtm n SER 235 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3gtm s HIS 236 N -1.31 1.93 0.02 0.66 3.76 -1.26 -2.16 115.29 116.93 3gtm s HIS 236 Ca -0.04 -1.03 -0.16 0.00 -0.15 0.00 0.00 55.06 53.67 3gtm s HIS 236 Cb 0.01 -1.30 0.03 0.00 1.11 0.00 0.00 32.58 32.43 3gtm s HIS 236 CO 0.07 -0.04 0.36 0.08 -0.85 0.00 0.00 174.74 174.36 3gtm s VAL 237 N -3.21 0.06 -0.18 -0.90 1.01 0.55 -2.67 120.40 115.06 3gtm s VAL 237 Ca 0.30 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3gtm s VAL 237 Cb 0.07 -0.85 0.03 0.00 0.00 0.00 0.00 36.38 35.62 3gtm s VAL 237 CO 0.14 -0.28 -0.15 0.00 0.00 0.00 0.00 175.10 174.81 3gtm s ALA 238 N -2.10 2.11 0.13 5.51 0.00 -0.13 0.03 121.76 127.31 3gtm s ALA 238 Ca -0.08 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.77 3gtm s ALA 238 Cb -0.02 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 3gtm s ALA 238 CO -0.00 -0.52 0.22 -1.21 0.00 0.00 0.00 175.76 174.25 3gtm s GLU 239 N 1.37 3.27 -0.23 0.00 2.02 -0.60 -1.95 118.70 122.58 3gtm s GLU 239 Ca 0.03 -0.65 -0.16 0.00 0.02 0.00 0.00 54.97 54.21 3gtm s GLU 239 Cb -0.14 -2.88 0.06 0.00 0.10 0.00 0.00 34.13 31.27 3gtm s GLU 239 CO -0.11 0.53 0.58 -1.50 0.02 0.00 0.00 175.26 174.78 3gtm s ILE 240 N -1.68 -0.01 -0.41 -1.63 2.07 -1.25 -2.44 121.20 115.84 3gtm s ILE 240 Ca 0.33 0.02 -0.02 0.00 -1.41 0.00 0.00 60.65 59.58 3gtm s ILE 240 Cb -0.11 -0.83 0.11 0.00 0.13 0.00 0.00 42.46 41.76 3gtm s ILE 240 CO 0.27 0.01 0.19 -0.13 -1.91 0.00 0.00 174.94 173.37 3gtm s ARG 241 N 0.99 1.95 -0.08 3.50 0.52 -1.26 -2.95 118.95 121.61 3gtm s ARG 241 Ca -0.05 -1.87 -0.05 0.00 -0.52 0.00 0.00 55.73 53.23 3gtm s ARG 241 Cb -0.05 -3.53 -0.04 0.00 0.52 0.00 0.00 34.95 31.84 3gtm s ARG 241 CO -0.09 -1.06 0.14 -1.54 0.02 0.00 0.00 175.30 172.77 3gtm s SER 242 N 1.61 6.30 -0.14 0.23 1.04 -1.19 0.20 113.70 121.76 3gtm s SER 242 Ca 0.09 0.40 -0.29 0.00 0.48 0.00 0.00 55.95 56.64 3gtm s SER 242 Cb -0.22 -2.00 0.08 0.00 0.10 0.00 0.00 66.02 63.98 3gtm s SER 242 CO -0.05 0.36 0.77 0.00 0.98 0.00 0.00 173.24 175.30 3gtm s ALA 243 N -1.12 -1.81 -0.01 5.32 0.00 -1.26 -3.39 121.76 119.48 3gtm s ALA 243 Ca 0.19 1.58 -0.30 0.00 0.00 0.00 0.00 51.96 53.43 3gtm s ALA 243 Cb -0.12 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 3gtm s ALA 243 CO 0.09 -0.34 1.27 -0.51 0.00 0.00 0.00 175.76 176.26 3gtm s LEU 244 N -0.69 4.31 0.30 0.00 1.43 -1.26 -4.77 118.68 118.00 3gtm s LEU 244 Ca -0.06 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 3gtm s LEU 244 Cb -0.02 -3.56 0.51 0.00 0.03 0.00 0.00 46.19 43.15 3gtm s LEU 244 CO 0.05 -0.61 1.92 -0.33 0.23 0.00 0.00 176.35 177.62 3gtm h GLU 245 N 7.44 1.02 -1.56 1.70 5.08 -2.01 -3.34 114.58 122.90 3gtm h GLU 245 Ca -0.37 -0.06 -0.47 0.00 -1.00 0.00 0.00 59.36 57.46 3gtm h GLU 245 Cb 1.18 -0.23 -0.34 0.00 0.50 0.00 0.00 28.75 29.86 3gtm h GLU 245 CO 0.87 0.67 -0.99 0.36 -1.00 0.00 0.00 179.01 178.93 3gtm n LYS 246 N -4.47 0.80 -2.70 2.33 2.85 -1.26 -4.97 118.16 110.73 3gtm n LYS 246 Ca 0.13 -2.94 -0.07 0.00 -1.05 0.00 0.00 58.31 54.38 3gtm n LYS 246 Cb 0.16 -1.35 0.10 0.00 -0.65 0.00 0.00 35.03 33.29 3gtm n LYS 246 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3gtm n GLY 247 N 1.13 -0.24 4.19 2.58 0.00 -1.25 -5.00 105.19 106.59 3gtm n GLY 247 Ca 0.19 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.57 3gtm n GLY 247 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gtm n SER 248 N 0.48 0.00 -2.21 1.61 2.88 -1.26 -4.71 113.62 110.41 3gtm n SER 248 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 3gtm n SER 248 Cb 0.72 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 3gtm n SER 248 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3gtm n ARG 249 N -1.09 -5.00 -3.70 -1.46 1.74 -1.26 -5.01 116.66 100.89 3gtm n ARG 249 Ca 0.00 3.64 -0.29 0.00 -0.77 0.00 0.00 57.85 60.43 3gtm n ARG 249 Cb 0.00 -4.39 -0.12 0.00 -1.02 0.00 0.00 32.46 26.93 3gtm n ARG 249 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3gtm s PHE 250 N -0.55 2.25 -1.07 -1.55 2.99 -1.26 -4.98 117.98 113.81 3gtm s PHE 250 Ca 0.00 -2.68 -0.20 0.00 0.00 0.00 0.00 56.93 54.05 3gtm s PHE 250 Cb 0.00 -1.92 0.09 0.00 0.00 0.00 0.00 43.02 41.19 3gtm s PHE 250 CO 0.00 -0.73 1.41 0.42 -0.00 0.00 0.00 175.22 176.33 3gtm s ILE 251 N -0.23 4.30 0.38 0.64 1.01 -1.26 -4.53 121.20 121.51 3gtm s ILE 251 Ca 0.23 -1.41 0.08 0.00 0.00 0.00 0.00 60.65 59.55 3gtm s ILE 251 Cb -0.12 -4.99 -0.06 0.00 0.01 0.00 0.00 42.46 37.29 3gtm s ILE 251 CO -0.09 -1.80 0.05 -0.94 0.00 0.00 0.00 174.94 172.16 3gtm s SER 252 N 4.23 4.14 0.07 3.58 1.04 -1.22 -4.94 113.70 120.60 3gtm s SER 252 Ca 0.43 -1.13 0.05 0.00 0.48 0.00 0.00 55.95 55.78 3gtm s SER 252 Cb -0.01 -0.47 -0.04 0.00 0.10 0.00 0.00 66.02 65.61 3gtm s SER 252 CO -0.05 -0.38 -0.05 -0.89 0.98 0.00 0.00 173.24 172.84 3gtm s THR 253 N -2.60 3.71 -0.41 2.02 2.01 -1.26 -3.15 115.64 115.96 3gtm s THR 253 Ca 0.37 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.35 3gtm s THR 253 Cb 0.04 -2.72 0.13 0.00 0.01 0.00 0.00 72.50 69.96 3gtm s THR 253 CO 0.20 0.18 0.21 -0.22 -0.69 0.00 0.00 174.62 174.30 3gtm s LEU 254 N -2.07 2.51 -0.11 4.42 2.96 -1.15 -4.08 118.68 121.17 3gtm s LEU 254 Ca 0.22 -2.41 -0.27 0.00 -0.22 0.00 0.00 54.13 51.45 3gtm s LEU 254 Cb -0.11 -0.97 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 3gtm s LEU 254 CO 0.14 -0.30 0.87 -1.10 -1.32 0.00 0.00 176.35 174.64 3gtm s GLN 255 N 0.64 4.40 -0.33 1.98 -0.21 -1.11 -3.95 119.66 121.09 3gtm s GLN 255 Ca 0.16 1.14 -0.05 0.00 0.02 0.00 0.00 55.36 56.63 3gtm s GLN 255 Cb -0.23 -3.52 0.04 0.00 1.00 0.00 0.00 33.01 30.30 3gtm s GLN 255 CO -0.04 -0.20 0.07 0.08 -2.12 0.00 0.00 175.29 173.08 3gtm s VAL 256 N 1.67 3.58 0.43 1.09 1.01 -0.82 -0.30 120.40 127.05 3gtm s VAL 256 Ca 0.43 -1.18 0.08 0.00 0.00 0.00 0.00 61.98 61.31 3gtm s VAL 256 Cb -0.18 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 3gtm s VAL 256 CO 0.17 -0.15 0.45 -0.54 0.00 0.00 0.00 175.10 175.04 3gtm s LYS 257 N 1.37 2.60 -0.39 2.72 1.02 -1.06 -0.96 119.74 125.04 3gtm s LYS 257 Ca -0.02 -1.47 0.02 0.00 0.02 0.00 0.00 55.97 54.52 3gtm s LYS 257 Cb -0.19 -2.49 0.15 0.00 -0.52 0.00 0.00 37.83 34.78 3gtm s LYS 257 CO 0.02 -0.26 0.28 -1.17 -0.92 0.00 0.00 175.35 173.30 3gtm s LEU 258 N -4.22 1.30 0.69 3.17 2.96 -1.09 -3.71 118.68 117.78 3gtm s LEU 258 Ca 0.50 -2.64 -0.17 0.00 -0.22 0.00 0.00 54.13 51.61 3gtm s LEU 258 Cb -0.05 -0.46 0.00 0.00 0.50 0.00 0.00 46.19 46.18 3gtm s LEU 258 CO 0.30 -0.24 1.08 -1.22 -1.32 0.00 0.00 176.35 174.95 3gtm n TYR 259 N 3.44 1.11 -0.51 5.38 4.02 -0.77 -1.19 117.16 128.63 3gtm n TYR 259 Ca 0.20 0.41 0.00 0.00 -0.01 0.00 0.00 57.90 58.50 3gtm n TYR 259 Cb 0.42 -2.15 0.00 0.00 -0.02 0.00 0.00 39.34 37.59 3gtm n TYR 259 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gtm n GLY 260 N 1.03 -3.72 2.36 2.72 0.00 -0.25 -3.69 105.19 103.64 3gtm n GLY 260 Ca 0.14 -0.78 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 3gtm n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gtm n ARG 261 N 0.02 -1.24 -2.36 1.61 1.74 -1.25 -4.44 116.66 110.74 3gtm n ARG 261 Ca 0.00 -1.24 -0.40 0.00 -0.77 0.00 0.00 57.85 55.45 3gtm n ARG 261 Cb 0.00 -0.91 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 3gtm n ARG 261 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3gtm s GLU 262 N -4.75 4.42 0.00 5.56 2.12 -1.26 -3.51 118.70 121.28 3gtm s GLU 262 Ca 0.47 1.89 0.00 0.00 0.36 0.00 0.00 54.97 57.68 3gtm s GLU 262 Cb -0.02 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.36 3gtm s GLU 262 CO 0.33 -0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.45 3gtm n GLY 263 N 0.92 2.20 3.70 -1.50 0.00 -1.26 -4.97 105.19 104.28 3gtm n GLY 263 Ca 0.01 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 3gtm n GLY 263 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gtm s SER 264 N 0.00 6.79 0.88 1.61 1.04 -1.23 -5.01 113.70 117.78 3gtm s SER 264 Ca 0.00 2.25 -0.08 0.00 0.48 0.00 0.00 55.95 58.60 3gtm s SER 264 Cb 0.00 -2.57 0.14 0.00 0.10 0.00 0.00 66.02 63.69 3gtm s SER 264 CO 0.00 -0.74 0.87 -1.54 0.98 0.00 0.00 173.24 172.81 3gtm n SER 265 N 5.03 0.37 -1.58 7.02 3.41 -1.26 -4.51 113.62 122.09 3gtm n SER 265 Ca 0.13 -1.50 -0.07 0.00 -0.26 0.00 0.00 58.87 57.17 3gtm n SER 265 Cb 0.43 -0.64 0.03 0.00 -0.26 0.00 0.00 64.21 63.76 3gtm n SER 265 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtm n ALA 266 N -3.39 -0.48 -2.20 7.33 0.00 -1.26 -4.95 120.51 115.56 3gtm n ALA 266 Ca -0.14 0.10 -0.32 0.00 0.00 0.00 0.00 53.44 53.08 3gtm n ALA 266 Cb 0.42 -1.94 -0.04 0.00 0.00 0.00 0.00 19.45 17.89 3gtm n ALA 266 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gtm s ARG 267 N -5.22 2.88 0.55 0.00 0.52 -1.26 -4.71 118.95 111.71 3gtm s ARG 267 Ca 0.15 -1.01 -0.04 0.00 -0.52 0.00 0.00 55.73 54.31 3gtm s ARG 267 Cb -0.07 -5.25 0.01 0.00 0.52 0.00 0.00 34.95 30.17 3gtm s ARG 267 CO 0.24 -3.30 0.83 -0.08 0.02 0.00 0.00 175.30 173.01 3gtm s THR 268 N 8.92 3.66 -0.36 0.02 -1.32 -1.24 -4.40 115.64 120.92 3gtm s THR 268 Ca 0.64 -0.19 -0.00 0.00 -1.21 0.00 0.00 61.69 60.93 3gtm s THR 268 Cb -0.02 -3.42 0.12 0.00 -1.51 0.00 0.00 72.50 67.67 3gtm s THR 268 CO 0.05 -0.39 0.18 -0.63 -2.21 0.00 0.00 174.62 171.62 3gtm s ILE 269 N -2.86 0.65 -0.11 5.08 1.01 -1.26 -1.85 121.20 121.86 3gtm s ILE 269 Ca 0.53 -1.74 -0.02 0.00 0.00 0.00 0.00 60.65 59.42 3gtm s ILE 269 Cb -0.10 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 3gtm s ILE 269 CO 0.43 -0.85 -0.03 -0.54 0.00 0.00 0.00 174.94 173.95 3gtm s LYS 270 N 1.15 3.16 0.06 2.79 1.02 -1.24 -1.48 119.74 125.21 3gtm s LYS 270 Ca 0.15 -0.48 0.03 0.00 0.02 0.00 0.00 55.97 55.69 3gtm s LYS 270 Cb -0.21 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 3gtm s LYS 270 CO -0.11 0.53 0.03 0.00 -0.92 0.00 0.00 175.35 174.88 3gtm s ALA 271 N -0.43 3.38 -0.20 5.17 0.00 -1.09 -2.55 121.76 126.04 3gtm s ALA 271 Ca 0.07 -1.04 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 3gtm s ALA 271 Cb -0.12 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 3gtm s ALA 271 CO 0.02 0.70 0.05 0.99 0.00 0.00 0.00 175.76 177.53 3gtm s THR 272 N -1.28 4.54 0.09 0.00 2.01 0.58 -2.85 115.64 118.72 3gtm s THR 272 Ca 0.25 -0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.20 3gtm s THR 272 Cb -0.12 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 3gtm s THR 272 CO 0.17 0.43 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.67 3gtm s LEU 273 N 0.74 3.04 0.48 4.42 1.43 -1.26 -2.73 118.68 124.80 3gtm s LEU 273 Ca 0.03 -0.35 -0.24 0.00 -1.03 0.00 0.00 54.13 52.54 3gtm s LEU 273 Cb -0.14 -1.82 -0.08 0.00 0.03 0.00 0.00 46.19 44.18 3gtm s LEU 273 CO 0.02 0.20 1.30 -2.65 0.23 0.00 0.00 176.35 175.44 3gtm n PRO 274 N 0.86 1.82 0.00 1.29 -0.02 -1.26 -2.03 135.00 135.67 3gtm n PRO 274 Ca -0.14 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3gtm n PRO 274 Cb 0.52 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3gtm n PRO 274 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gtm n TYR 275 N -0.58 0.00 -2.56 6.00 4.02 -1.26 -4.89 117.16 117.89 3gtm n TYR 275 Ca 0.08 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.57 3gtm n TYR 275 Cb 0.42 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.69 3gtm n TYR 275 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3gtm s ILE 276 N 0.00 3.67 -2.31 -0.72 1.01 -0.86 -4.96 121.20 117.04 3gtm s ILE 276 Ca 0.00 1.64 0.23 0.00 0.00 0.00 0.00 60.65 62.51 3gtm s ILE 276 Cb 0.00 -4.02 0.49 0.00 0.01 0.00 0.00 42.46 38.94 3gtm s ILE 276 CO 0.00 0.35 1.61 0.29 0.00 0.00 0.00 174.94 177.20 3gtm n LYS 277 N 1.13 1.67 -0.97 2.79 4.76 -1.26 -4.75 118.16 121.53 3gtm n LYS 277 Ca -0.01 -1.00 0.00 0.00 -2.87 0.00 0.00 58.31 54.44 3gtm n LYS 277 Cb 0.46 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 3gtm n LYS 277 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 3gtm n GLN 278 N 0.21 0.00 -4.01 1.97 7.27 -1.26 -5.17 117.38 116.40 3gtm n GLN 278 Ca 0.17 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.93 3gtm n GLN 278 Cb 0.32 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.91 3gtm n GLN 278 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3gtm s ASP 279 N -0.42 5.80 -0.15 1.69 1.01 -1.26 -4.52 116.67 118.82 3gtm s ASP 279 Ca 0.00 0.08 -0.04 0.00 0.71 0.00 0.00 52.55 53.30 3gtm s ASP 279 Cb 0.00 -1.64 0.07 0.00 1.01 0.00 0.00 42.92 42.36 3gtm s ASP 279 CO 0.00 0.17 0.23 -0.63 0.21 0.00 0.00 175.17 175.15 3gtm s ILE 280 N -1.44 -0.36 0.09 0.77 1.01 -1.13 -4.93 121.20 115.20 3gtm s ILE 280 Ca 0.31 0.16 -0.36 0.00 0.00 0.00 0.00 60.65 60.76 3gtm s ILE 280 Cb -0.12 -0.49 -0.17 0.00 0.01 0.00 0.00 42.46 41.68 3gtm s ILE 280 CO 0.24 0.02 1.21 -2.65 0.00 0.00 0.00 174.94 173.76 3gtm n PRO 281 N 5.34 0.85 -0.29 2.79 -0.02 -1.26 -2.67 135.00 139.73 3gtm n PRO 281 Ca -0.05 0.31 0.21 0.00 -2.02 0.00 0.00 63.50 61.94 3gtm n PRO 281 Cb 0.50 -1.86 0.50 0.00 -0.02 0.00 0.00 33.50 32.61 3gtm n PRO 281 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 3gtm h ILE 282 N 3.03 0.61 -0.99 4.25 3.07 -1.62 -0.16 117.51 125.69 3gtm h ILE 282 Ca -0.47 -0.14 0.21 0.00 1.55 0.00 0.00 64.86 66.01 3gtm h ILE 282 Cb 1.36 0.15 -0.11 0.00 -0.27 0.00 0.00 36.82 37.95 3gtm h ILE 282 CO 0.72 0.08 0.59 0.58 -1.05 0.00 0.00 178.15 179.07 3gtm h VAL 283 N 0.42 0.62 -0.10 0.16 2.07 -1.87 0.33 116.25 117.89 3gtm h VAL 283 Ca 0.54 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.69 3gtm h VAL 283 Cb 1.32 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3gtm h VAL 283 CO -0.24 0.12 -0.54 0.40 0.02 0.00 0.00 177.57 177.33 3gtm h ILE 284 N 0.66 1.36 -0.01 4.57 2.04 -1.35 -2.07 117.51 122.71 3gtm h ILE 284 Ca 0.60 -1.82 -0.17 0.00 1.00 0.00 0.00 64.86 64.47 3gtm h ILE 284 Cb 1.04 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 3gtm h ILE 284 CO -0.43 0.54 -0.79 0.40 0.00 0.00 0.00 178.15 177.88 3gtm h ILE 285 N 0.22 1.49 -0.30 -0.67 2.04 -0.48 0.28 117.51 120.11 3gtm h ILE 285 Ca 0.00 -2.49 -0.16 0.00 1.00 0.00 0.00 64.86 63.21 3gtm h ILE 285 Cb 1.02 2.36 -0.01 0.00 -0.74 0.00 0.00 36.82 39.45 3gtm h ILE 285 CO 0.09 0.72 -0.45 -0.26 0.00 0.00 0.00 178.15 178.24 3gtm h PHE 286 N 0.08 0.94 -0.25 1.37 -1.00 -0.86 -1.89 116.94 115.34 3gtm h PHE 286 Ca -0.02 -0.30 -0.04 0.00 2.81 0.00 0.00 57.97 60.41 3gtm h PHE 286 Cb 1.38 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.74 3gtm h PHE 286 CO 0.02 1.08 -0.00 0.00 -1.61 0.00 0.00 178.31 177.80 3gtm h ARG 287 N 0.62 0.45 -0.97 1.51 3.08 -1.26 -1.45 114.38 116.37 3gtm h ARG 287 Ca 0.04 -0.15 0.24 0.00 0.07 0.00 0.00 59.98 60.18 3gtm h ARG 287 Cb 1.02 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.96 3gtm h ARG 287 CO 0.10 0.63 0.64 0.00 -1.07 0.00 0.00 179.97 180.27 3gtm h ALA 288 N 0.81 2.33 0.00 0.04 0.00 -0.32 0.11 119.26 122.23 3gtm h ALA 288 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3gtm h ALA 288 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3gtm h ALA 288 CO 0.01 -0.66 -0.07 -0.07 0.00 0.00 0.00 179.25 178.47 3gtm h LEU 289 N 0.34 0.00 0.00 0.00 3.38 -1.04 -3.44 115.31 114.56 3gtm h LEU 289 Ca 0.52 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.47 3gtm h LEU 289 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3gtm h LEU 289 CO -0.19 0.01 0.00 0.61 0.09 0.00 0.00 178.44 178.96 3gtm n GLY 290 N 1.26 1.89 3.53 0.83 0.00 0.38 -4.80 105.19 108.29 3gtm n GLY 290 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3gtm n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtm s ILE 291 N -1.63 3.99 -0.08 -0.61 1.01 -0.57 -4.88 121.20 118.43 3gtm s ILE 291 Ca 0.00 -0.42 -0.26 0.00 0.00 0.00 0.00 60.65 59.97 3gtm s ILE 291 Cb 0.00 -4.94 -0.25 0.00 0.01 0.00 0.00 42.46 37.28 3gtm s ILE 291 CO 0.00 -1.81 0.94 0.40 0.00 0.00 0.00 174.94 174.47 3gtm h ILE 292 N 6.34 1.63 -3.59 2.92 2.04 -1.84 -3.09 117.51 121.91 3gtm h ILE 292 Ca -0.02 -2.08 -0.51 0.00 1.00 0.00 0.00 64.86 63.25 3gtm h ILE 292 Cb 1.03 2.99 -0.02 0.00 -0.74 0.00 0.00 36.82 40.08 3gtm h ILE 292 CO 1.31 0.56 0.31 -2.84 0.00 0.00 0.00 178.15 177.49 3gtm s PRO 293 N -2.83 4.70 0.28 2.37 0.02 -1.26 -4.86 135.00 133.42 3gtm s PRO 293 Ca -0.17 1.37 -0.30 0.00 0.02 0.00 0.00 61.00 61.92 3gtm s PRO 293 Cb -0.01 -3.34 -0.12 0.00 0.02 0.00 0.00 34.50 31.06 3gtm s PRO 293 CO 0.72 0.35 1.53 -0.25 -0.33 0.00 0.00 177.00 179.02 3gtm n ASP 294 N 2.31 3.48 0.00 2.53 10.43 -1.26 -1.69 116.55 132.35 3gtm n ASP 294 Ca -0.00 1.15 0.00 0.00 2.57 0.00 0.00 54.79 58.50 3gtm n ASP 294 Cb 0.49 -1.54 0.00 0.00 1.84 0.00 0.00 41.12 41.91 3gtm n ASP 294 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gtm n GLY 295 N 2.14 3.05 0.08 0.44 0.00 -1.26 -4.68 105.19 104.97 3gtm n GLY 295 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 3gtm n GLY 295 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3gtm n GLU 296 N -0.66 0.64 -0.04 1.61 2.13 -0.84 -2.98 120.64 120.51 3gtm n GLU 296 Ca 0.00 0.08 -0.13 0.00 0.66 0.00 0.00 57.16 57.77 3gtm n GLU 296 Cb 0.00 -1.69 -0.09 0.00 0.27 0.00 0.00 31.44 29.93 3gtm n GLU 296 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3gtm h ILE 297 N 0.00 1.38 -0.86 6.31 2.04 -1.60 -3.18 117.51 121.61 3gtm h ILE 297 Ca -0.20 -1.31 0.22 0.00 1.00 0.00 0.00 64.86 64.57 3gtm h ILE 297 Cb 1.56 2.08 -0.13 0.00 -0.74 0.00 0.00 36.82 39.59 3gtm h ILE 297 CO 0.03 0.37 0.27 -0.07 0.00 0.00 0.00 178.15 178.75 3gtm h LEU 298 N -0.25 0.09 -0.58 1.44 -0.00 -1.83 -1.14 115.31 113.05 3gtm h LEU 298 Ca 0.01 0.18 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 3gtm h LEU 298 Cb 0.64 0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.52 3gtm h LEU 298 CO 0.02 -0.10 0.00 -0.62 -0.00 0.00 0.00 178.44 177.75 3gtm n GLU 299 N -5.17 0.73 0.00 1.13 1.02 -1.16 -0.59 120.64 116.61 3gtm n GLU 299 Ca 0.21 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.41 3gtm n GLU 299 Cb 0.65 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 3gtm n GLU 299 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3gtm n HIS 300 N -0.13 0.00 0.00 -0.32 8.25 -0.43 -4.70 115.22 117.88 3gtm n HIS 300 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3gtm n HIS 300 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3gtm n HIS 300 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3gtm n ILE 301 N -0.11 0.00 -1.99 1.59 5.41 0.25 -4.02 119.36 120.49 3gtm n ILE 301 Ca 0.06 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.56 3gtm n ILE 301 Cb 0.28 -0.47 -0.05 0.00 -0.71 0.00 0.00 39.64 38.69 3gtm n ILE 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gtm n TYR 303 N 14.57 0.00 -3.99 0.00 0.53 -1.26 -4.58 117.16 122.43 3gtm n TYR 303 Ca 0.41 0.00 -0.19 0.00 -1.02 0.00 0.00 57.90 57.10 3gtm n TYR 303 Cb 0.46 0.00 -0.16 0.00 -1.03 0.00 0.00 39.34 38.61 3gtm n TYR 303 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3gtm s ASP 304 N -1.90 0.78 0.34 7.72 2.15 -1.26 -4.55 116.67 119.95 3gtm s ASP 304 Ca 0.19 -0.07 0.02 0.00 0.43 0.00 0.00 52.55 53.12 3gtm s ASP 304 Cb 0.09 -0.33 0.60 0.00 -0.30 0.00 0.00 42.92 42.98 3gtm s ASP 304 CO 0.15 -0.10 1.98 0.58 -0.17 0.00 0.00 175.17 177.61 3gtm h VAL 305 N 6.22 1.17 0.00 1.11 2.07 -1.96 -2.96 116.25 121.90 3gtm h VAL 305 Ca -0.37 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3gtm h VAL 305 Cb 1.14 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3gtm h VAL 305 CO 0.44 0.18 0.00 0.59 0.02 0.00 0.00 177.57 178.80 3gtm n ASN 306 N -4.41 0.14 -3.59 0.57 3.02 -1.26 -4.32 115.26 105.41 3gtm n ASN 306 Ca 0.06 0.53 -0.40 0.00 -0.03 0.00 0.00 54.58 54.73 3gtm n ASN 306 Cb 0.08 -0.56 -0.01 0.00 -0.61 0.00 0.00 39.78 38.67 3gtm n ASN 306 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3gtm n ASP 307 N -1.65 4.82 0.23 6.41 -0.08 -1.12 -4.72 116.55 120.44 3gtm n ASP 307 Ca 0.04 -2.73 0.07 0.00 -1.51 0.00 0.00 54.79 50.65 3gtm n ASP 307 Cb 0.22 -1.54 0.57 0.00 2.34 0.00 0.00 41.12 42.71 3gtm n ASP 307 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 3gtm h TRP 308 N 6.05 0.03 0.00 -0.67 5.08 -1.88 -1.67 115.95 122.89 3gtm h TRP 308 Ca 0.61 -0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.58 3gtm h TRP 308 Cb 0.54 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 26.69 3gtm h TRP 308 CO 1.55 0.10 0.00 1.96 -1.28 0.00 0.00 178.44 180.77 3gtm h GLN 309 N 0.04 0.00 0.00 0.12 4.20 -1.97 -2.75 115.11 114.75 3gtm h GLN 309 Ca 0.01 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 3gtm h GLN 309 Cb 0.13 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3gtm h GLN 309 CO 0.01 0.00 -0.30 1.98 -0.67 0.00 0.00 178.83 179.85 3gtm h MET 310 N 0.00 0.00 0.03 1.46 4.05 -1.70 -3.33 114.93 115.44 3gtm h MET 310 Ca 0.00 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.13 3gtm h MET 310 Cb 0.88 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.65 3gtm h MET 310 CO 0.00 0.18 -1.59 -0.07 0.23 0.00 0.00 176.91 175.66 3gtm h LEU 311 N 0.00 0.11 -1.41 3.39 3.38 -1.30 -3.12 115.31 116.37 3gtm h LEU 311 Ca -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3gtm h LEU 311 Cb 1.15 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3gtm h LEU 311 CO 0.02 1.17 0.00 -0.08 0.09 0.00 0.00 178.44 179.64 3gtm h GLU 312 N 0.02 0.00 0.02 1.13 4.57 -1.63 -1.59 114.58 117.09 3gtm h GLU 312 Ca -0.25 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3gtm h GLU 312 Cb 1.98 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.57 3gtm h GLU 312 CO 0.10 0.00 -0.01 0.52 -1.18 0.00 0.00 179.01 178.45 3gtm h MET 313 N 0.00 -0.02 0.00 1.92 2.86 -1.65 -3.35 114.93 114.69 3gtm h MET 313 Ca 0.00 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.43 3gtm h MET 313 Cb 0.27 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 3gtm h MET 313 CO 0.00 0.46 -1.01 -0.07 1.06 0.00 0.00 176.91 177.35 3gtm h LEU 314 N -0.51 0.00 -0.84 1.22 3.38 -1.51 -3.38 115.31 113.67 3gtm h LEU 314 Ca -0.00 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3gtm h LEU 314 Cb 0.49 -0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.12 3gtm h LEU 314 CO 0.00 1.00 -0.40 1.17 0.09 0.00 0.00 178.44 180.30 3gtm n LYS 315 N -3.35 -0.28 0.25 1.13 4.81 -0.63 0.97 118.16 121.07 3gtm n LYS 315 Ca -0.00 1.28 0.14 0.00 -0.87 0.00 0.00 58.31 58.85 3gtm n LYS 315 Cb 0.94 -1.88 0.59 0.00 0.02 0.00 0.00 35.03 34.70 3gtm n LYS 315 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3gtm h PRO 316 N 0.00 0.00 -0.39 1.64 0.13 -1.79 -2.77 132.00 128.81 3gtm h PRO 316 Ca 0.22 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.20 3gtm h PRO 316 Cb 0.43 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 3gtm h PRO 316 CO -0.81 0.11 -0.33 0.00 -0.23 0.00 0.00 178.00 176.73 3gtm h VAL 318 N 0.74 1.25 -0.65 0.00 2.07 -1.00 -2.16 116.25 116.49 3gtm h VAL 318 Ca 0.07 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.53 3gtm h VAL 318 Cb 0.91 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 3gtm h VAL 318 CO 0.08 0.37 0.43 -0.33 0.02 0.00 0.00 177.57 178.14 3gtm h GLU 319 N 0.59 0.73 -0.02 1.57 5.08 -1.45 -2.43 114.58 118.66 3gtm h GLU 319 Ca 0.10 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3gtm h GLU 319 Cb 0.55 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3gtm h GLU 319 CO 0.03 0.48 0.12 0.22 -1.00 0.00 0.00 179.01 178.86 3gtm h ASP 320 N 0.75 0.00 -0.11 1.42 3.58 -1.27 -2.09 116.42 118.70 3gtm h ASP 320 Ca 0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.71 3gtm h ASP 320 Cb 0.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.17 3gtm h ASP 320 CO -0.08 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.89 3gtm n GLY 321 N -1.16 0.59 0.42 -0.78 0.00 -0.91 -4.66 105.19 98.68 3gtm n GLY 321 Ca -0.02 -0.30 0.29 0.00 0.00 0.00 0.00 46.02 45.99 3gtm n GLY 321 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3gtm h PHE 322 N 1.89 0.64 -0.04 1.61 3.57 -1.40 -0.97 116.94 122.23 3gtm h PHE 322 Ca 0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3gtm h PHE 322 Cb 0.51 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 3gtm h PHE 322 CO 0.07 -0.09 -0.44 0.28 -2.23 0.00 0.00 178.31 175.89 3gtm h VAL 323 N 0.25 0.12 -3.40 1.41 2.07 -1.83 -3.38 116.25 111.48 3gtm h VAL 323 Ca 0.71 0.00 -0.55 0.00 0.82 0.00 0.00 66.70 67.68 3gtm h VAL 323 Cb 2.00 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 3gtm h VAL 323 CO -0.40 0.00 0.20 -0.63 0.02 0.00 0.00 177.57 176.77 3gtm s ILE 324 N -5.86 4.91 0.00 4.57 1.01 -0.37 -4.93 121.20 120.53 3gtm s ILE 324 Ca -0.16 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.19 3gtm s ILE 324 Cb 0.08 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.40 3gtm s ILE 324 CO 0.63 0.25 0.00 1.67 0.00 0.00 0.00 174.94 177.49 3gtm n GLN 325 N 3.60 3.28 -4.11 2.79 -0.06 -1.26 -4.92 117.38 116.69 3gtm n GLN 325 Ca 0.01 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 54.86 3gtm n GLN 325 Cb 0.51 -0.63 -0.12 0.00 -4.06 0.00 0.00 30.24 25.95 3gtm n GLN 325 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 3gtm s ASP 326 N -1.11 1.22 0.24 1.69 -4.77 -1.26 -4.93 116.67 107.75 3gtm s ASP 326 Ca 0.00 -0.61 -0.10 0.00 -3.30 0.00 0.00 52.55 48.54 3gtm s ASP 326 Cb 0.00 0.00 0.36 0.00 -1.09 0.00 0.00 42.92 42.20 3gtm s ASP 326 CO 0.00 -0.17 1.61 -0.09 0.70 0.00 0.00 175.17 177.22 3gtm h ARG 327 N 4.30 0.03 -0.87 2.11 2.43 -1.95 -0.36 114.38 120.08 3gtm h ARG 327 Ca -0.38 -0.00 0.22 0.00 -0.81 0.00 0.00 59.98 59.02 3gtm h ARG 327 Cb 1.20 -0.01 -0.15 0.00 -0.42 0.00 0.00 29.97 30.59 3gtm h ARG 327 CO 0.42 0.02 0.12 0.93 -1.51 0.00 0.00 179.97 179.95 3gtm h GLU 328 N 0.03 0.13 0.00 0.20 5.08 -1.96 -0.63 114.58 117.43 3gtm h GLU 328 Ca 0.39 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.52 3gtm h GLU 328 Cb 0.63 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 3gtm h GLU 328 CO -0.75 0.08 -1.57 2.41 -1.00 0.00 0.00 179.01 178.19 3gtm n THR 329 N -5.32 1.35 0.27 1.13 -1.04 -0.68 -3.90 114.28 106.09 3gtm n THR 329 Ca 0.20 -0.74 -0.17 0.00 -2.04 0.00 0.00 64.05 61.30 3gtm n THR 329 Cb 0.64 -0.84 -0.09 0.00 -1.82 0.00 0.00 70.33 68.22 3gtm n THR 329 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtm h ALA 330 N 1.25 -0.96 -0.99 2.41 0.00 0.46 0.03 119.26 121.45 3gtm h ALA 330 Ca -0.22 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 54.69 3gtm h ALA 330 Cb 1.77 0.62 -0.10 0.00 0.00 0.00 0.00 17.79 20.09 3gtm h ALA 330 CO 0.06 -1.08 0.62 -0.07 0.00 0.00 0.00 179.25 178.78 3gtm h LEU 331 N -0.89 0.80 -0.78 0.00 4.07 -1.61 -2.64 115.31 114.26 3gtm h LEU 331 Ca -0.04 0.07 -0.12 0.00 0.08 0.00 0.00 57.88 57.87 3gtm h LEU 331 Cb 0.78 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 3gtm h LEU 331 CO -0.06 0.34 -0.39 -0.78 -1.08 0.00 0.00 178.44 176.47 3gtm h ASP 332 N 0.81 0.48 -0.03 -0.43 3.58 -1.35 -2.72 116.42 116.75 3gtm h ASP 332 Ca 0.54 -0.20 0.01 0.00 0.42 0.00 0.00 57.03 57.80 3gtm h ASP 332 Cb 0.78 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.70 3gtm h ASP 332 CO -0.32 0.82 0.04 0.15 -2.88 0.00 0.00 179.24 177.05 3gtm h PHE 333 N 0.38 0.00 -0.96 0.28 3.57 -0.65 -3.33 116.94 116.23 3gtm h PHE 333 Ca 0.04 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 61.06 3gtm h PHE 333 Cb 0.85 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.52 3gtm h PHE 333 CO 0.03 0.00 1.20 0.42 -2.23 0.00 0.00 178.31 177.72 3gtm s ILE 334 N -4.69 3.73 0.00 1.41 1.01 -1.03 -5.14 121.20 116.49 3gtm s ILE 334 Ca -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.00 3gtm s ILE 334 Cb 0.15 -4.64 0.00 0.00 0.01 0.00 0.00 42.46 37.98 3gtm s ILE 334 CO 0.56 -1.55 0.00 0.61 0.00 0.00 0.00 174.94 174.57 3gtm n GLY 335 N 6.87 1.41 3.78 6.18 0.00 -1.25 -4.60 105.19 117.58 3gtm n GLY 335 Ca 0.36 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 3gtm n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gtm s LYS 345 N 0.00 2.78 0.00 1.61 1.02 -1.26 -5.08 119.74 118.81 3gtm s LYS 345 Ca 0.00 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 54.94 3gtm s LYS 345 Cb 0.00 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 3gtm s LYS 345 CO 0.00 0.43 0.00 0.39 -0.92 0.00 0.00 175.35 175.25 3gtm n GLU 346 N -0.79 0.00 -0.10 1.68 1.02 -1.26 -4.28 120.64 116.91 3gtm n GLU 346 Ca -0.08 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.86 3gtm n GLU 346 Cb 0.57 -0.86 -0.10 0.00 -0.02 0.00 0.00 31.44 31.02 3gtm n GLU 346 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 3gtm h LYS 347 N 0.00 0.00 0.00 3.49 2.10 -2.04 -3.38 116.57 116.73 3gtm h LYS 347 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3gtm h LYS 347 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3gtm h LYS 347 CO 0.00 0.89 -0.08 0.07 -2.00 0.00 0.00 179.45 178.33 3gtm h ARG 348 N -1.00 0.00 0.31 0.07 0.11 -1.96 -3.23 114.38 108.69 3gtm h ARG 348 Ca -0.31 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.76 3gtm h ARG 348 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 3gtm h ARG 348 CO -0.19 0.00 -0.15 0.82 0.10 0.00 0.00 179.97 180.56 3gtm h ILE 349 N 0.00 0.69 0.00 0.08 2.04 -1.87 -3.02 117.51 115.42 3gtm h ILE 349 Ca 0.00 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3gtm h ILE 349 Cb 0.86 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3gtm h ILE 349 CO 0.00 0.11 0.00 1.67 0.00 0.00 0.00 178.15 179.93 3gtm n GLN 350 N -5.13 0.11 0.01 2.37 -0.06 -1.23 -1.13 117.38 112.32 3gtm n GLN 350 Ca -0.09 0.22 -0.18 0.00 -2.00 0.00 0.00 57.00 54.95 3gtm n GLN 350 Cb 0.26 -1.50 -0.14 0.00 -4.06 0.00 0.00 30.24 24.80 3gtm n GLN 350 CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 3gtm h TYR 351 N 0.00 0.38 -0.41 3.69 3.20 -1.55 -3.13 116.97 119.15 3gtm h TYR 351 Ca 0.00 -0.27 -0.10 0.00 3.14 0.00 0.00 58.73 61.50 3gtm h TYR 351 Cb 0.13 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3gtm h TYR 351 CO 0.00 1.20 -0.16 0.00 -1.64 0.00 0.00 178.16 177.56 3gtm h ALA 352 N 0.08 0.96 -0.05 1.82 0.00 -1.01 -1.29 119.26 119.77 3gtm h ALA 352 Ca -0.09 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.49 3gtm h ALA 352 Cb 1.42 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3gtm h ALA 352 CO 0.10 0.61 0.04 0.87 0.00 0.00 0.00 179.25 180.87 3gtm h LYS 353 N 0.68 0.00 0.20 0.00 1.57 -1.36 0.15 116.57 117.81 3gtm h LYS 353 Ca 0.11 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.62 3gtm h LYS 353 Cb 0.65 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.99 3gtm h LYS 353 CO 0.05 0.00 -1.18 -0.44 -0.57 0.00 0.00 179.45 177.31 3gtm h ASP 354 N 0.00 0.67 0.01 0.86 3.32 -1.36 -3.34 116.42 116.58 3gtm h ASP 354 Ca 0.02 -0.94 -0.00 0.00 0.02 0.00 0.00 57.03 56.14 3gtm h ASP 354 Cb 0.10 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3gtm h ASP 354 CO -0.00 1.57 -0.01 0.40 -1.72 0.00 0.00 179.24 179.48 3gtm h ILE 355 N -0.10 1.08 0.00 0.35 2.04 -0.51 0.55 117.51 120.92 3gtm h ILE 355 Ca -0.21 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.37 3gtm h ILE 355 Cb 1.92 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 3gtm h ILE 355 CO 0.22 0.07 0.00 0.18 0.00 0.00 0.00 178.15 178.62 3gtm n LEU 356 N -5.04 0.00 0.00 1.44 4.77 -0.03 -1.58 117.00 116.56 3gtm n LEU 356 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3gtm n LEU 356 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3gtm n LEU 356 CO 0.33 0.00 -0.49 0.00 -1.33 0.00 0.00 177.39 175.90 3gtm n GLN 357 N -0.66 2.04 -0.10 3.23 6.02 -0.90 -4.76 117.38 122.25 3gtm n GLN 357 Ca 0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.90 3gtm n GLN 357 Cb 0.01 -0.99 -0.11 0.00 1.02 0.00 0.00 30.24 30.17 3gtm n GLN 357 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3gtm n LYS 358 N -2.22 0.80 -0.05 -1.09 5.02 0.13 -4.38 118.16 116.38 3gtm n LYS 358 Ca 0.00 0.08 -0.04 0.00 -2.02 0.00 0.00 58.31 56.32 3gtm n LYS 358 Cb 0.49 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 34.00 3gtm n LYS 358 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3gtm n GLU 359 N -2.94 2.23 -2.53 1.97 -0.58 -0.61 -4.63 120.64 113.54 3gtm n GLU 359 Ca -0.34 -0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 55.97 3gtm n GLU 359 Cb 0.95 -1.26 -0.02 0.00 -0.57 0.00 0.00 31.44 30.53 3gtm n GLU 359 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3gtm s PHE 360 N -2.27 2.50 -1.09 -0.32 5.36 -0.75 -4.23 117.98 117.18 3gtm s PHE 360 Ca -0.05 0.39 -0.16 0.00 -0.96 0.00 0.00 56.93 56.15 3gtm s PHE 360 Cb 0.03 -4.50 -0.02 0.00 -0.34 0.00 0.00 43.02 38.19 3gtm s PHE 360 CO 0.42 -1.72 0.82 -0.11 -1.46 0.00 0.00 175.22 173.17 3gtm n LEU 361 N 8.79 -3.70 0.12 6.12 7.94 -1.26 -4.71 117.00 130.29 3gtm n LEU 361 Ca 0.09 -0.91 -0.00 0.00 -1.11 0.00 0.00 56.01 54.08 3gtm n LEU 361 Cb 0.49 -2.63 0.28 0.00 0.53 0.00 0.00 43.42 42.10 3gtm n LEU 361 CO 0.71 0.32 0.71 1.55 -1.11 0.00 0.00 177.39 179.57 3gtm h PRO 362 N -1.58 0.18 -6.90 1.96 0.13 -1.81 -3.40 132.00 120.58 3gtm h PRO 362 Ca -0.63 -0.07 -0.53 0.00 -0.87 0.00 0.00 66.00 63.90 3gtm h PRO 362 Cb 1.34 -0.01 0.08 0.00 0.13 0.00 0.00 31.00 32.54 3gtm h PRO 362 CO 0.46 0.52 0.71 -3.38 -0.23 0.00 0.00 178.00 176.08 3gtm s HIS 363 N -4.25 2.84 0.00 1.56 -3.43 -1.26 -2.05 115.29 108.69 3gtm s HIS 363 Ca -0.04 1.28 0.00 0.00 -0.80 0.00 0.00 55.06 55.50 3gtm s HIS 363 Cb 0.14 -3.84 0.00 0.00 -1.43 0.00 0.00 32.58 27.45 3gtm s HIS 363 CO 0.75 -2.42 0.00 -0.89 -2.00 0.00 0.00 174.74 170.19 3gtm n ILE 364 N 0.73 0.00 0.00 -5.38 5.41 -1.26 -5.00 119.36 113.87 3gtm n ILE 364 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 3gtm n ILE 364 Cb 0.41 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.34 3gtm n ILE 364 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3gtm n THR 365 N 0.00 0.00 -0.17 1.39 -1.04 -0.87 -5.04 114.28 108.54 3gtm n THR 365 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3gtm n THR 365 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3gtm n THR 365 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtm n GLN 366 N -0.42 0.41 0.00 -2.82 6.02 -1.26 -4.59 117.38 114.72 3gtm n GLN 366 Ca 0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 57.00 56.67 3gtm n GLN 366 Cb 0.00 -0.80 0.00 0.00 1.02 0.00 0.00 30.24 30.46 3gtm n GLN 366 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3gtm n LEU 367 N -0.15 0.00 0.00 1.08 4.77 -1.26 -4.69 117.00 116.75 3gtm n LEU 367 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3gtm n LEU 367 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3gtm n LEU 367 CO 0.00 -0.61 0.00 1.21 -1.33 0.00 0.00 177.39 176.66 3gtm n GLU 368 N -1.04 0.00 -0.90 3.23 2.13 -1.26 -4.67 120.64 118.13 3gtm n GLU 368 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3gtm n GLU 368 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3gtm n GLU 368 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gtm n GLY 369 N 4.39 0.00 2.76 8.31 0.00 -1.26 -4.48 105.19 114.91 3gtm n GLY 369 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3gtm n GLY 369 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gtm n PHE 370 N 3.90 -0.13 0.08 1.61 3.01 -1.26 -4.97 117.46 119.69 3gtm n PHE 370 Ca 0.00 -2.00 -0.09 0.00 1.01 0.00 0.00 57.45 56.37 3gtm n PHE 370 Cb 0.41 0.51 0.02 0.00 -0.01 0.00 0.00 39.48 40.41 3gtm n PHE 370 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3gtm h GLU 371 N 1.99 0.26 0.00 -1.08 3.07 -1.89 -3.11 114.58 113.82 3gtm h GLU 371 Ca -0.26 -0.25 -0.06 0.00 -0.50 0.00 0.00 59.36 58.29 3gtm h GLU 371 Cb 1.28 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.24 3gtm h GLU 371 CO 0.04 0.93 -0.28 0.66 -1.40 0.00 0.00 179.01 178.97 3gtm h SER 372 N 0.16 0.00 -0.36 1.42 4.64 -1.93 0.10 113.55 117.58 3gtm h SER 372 Ca -0.04 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.13 3gtm h SER 372 Cb 1.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 3gtm h SER 372 CO 0.13 0.28 -0.35 -0.09 -0.87 0.00 0.00 176.83 175.93 3gtm h ARG 373 N 0.00 0.91 -0.03 4.77 2.43 -1.87 -2.18 114.38 118.40 3gtm h ARG 373 Ca -0.00 -0.45 -0.16 0.00 -0.81 0.00 0.00 59.98 58.56 3gtm h ARG 373 Cb 0.73 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.29 3gtm h ARG 373 CO 0.04 1.11 -0.59 0.87 -1.51 0.00 0.00 179.97 179.89 3gtm h LYS 374 N 0.75 0.46 -0.37 0.20 1.57 -1.55 -3.26 116.57 114.37 3gtm h LYS 374 Ca 0.07 -0.45 0.07 0.00 -1.87 0.00 0.00 60.65 58.48 3gtm h LYS 374 Cb 0.93 0.12 -0.09 0.00 0.08 0.00 0.00 32.23 33.27 3gtm h LYS 374 CO 0.09 1.09 -0.35 0.00 -0.57 0.00 0.00 179.45 179.71 3gtm h ALA 375 N 0.38 -0.26 -0.82 3.86 0.00 -0.72 0.24 119.26 121.93 3gtm h ALA 375 Ca -0.06 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.02 3gtm h ALA 375 Cb 1.27 0.74 -0.07 0.00 0.00 0.00 0.00 17.79 19.73 3gtm h ALA 375 CO 0.12 -0.77 0.47 0.74 0.00 0.00 0.00 179.25 179.81 3gtm h PHE 376 N -0.29 0.85 -0.30 0.00 -1.00 -1.52 -0.72 116.94 113.96 3gtm h PHE 376 Ca 0.16 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.97 3gtm h PHE 376 Cb 0.55 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 3gtm h PHE 376 CO -0.54 0.36 0.19 0.35 -1.61 0.00 0.00 178.31 177.05 3gtm h PHE 377 N 0.80 0.39 -0.42 -0.55 3.57 -1.16 0.13 116.94 119.70 3gtm h PHE 377 Ca 0.39 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.97 3gtm h PHE 377 Cb 0.34 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3gtm h PHE 377 CO -0.06 0.27 0.29 1.25 -2.23 0.00 0.00 178.31 177.82 3gtm h LEU 378 N 0.40 0.23 -0.44 0.59 5.85 -0.17 0.19 115.31 121.95 3gtm h LEU 378 Ca 0.11 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 3gtm h LEU 378 Cb -0.01 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3gtm h LEU 378 CO -0.02 0.15 0.03 1.23 -0.34 0.00 0.00 178.44 179.49 3gtm h GLY 379 N 0.26 0.82 1.07 3.75 0.00 0.39 -1.68 103.07 107.69 3gtm h GLY 379 Ca 0.19 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 3gtm h GLY 379 CO -0.04 0.54 0.30 -1.82 0.00 0.00 0.00 176.54 175.52 3gtm h TYR 380 N 0.61 1.20 0.16 5.60 3.20 0.18 0.68 116.97 128.60 3gtm h TYR 380 Ca 0.13 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3gtm h TYR 380 Cb 0.44 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.36 3gtm h TYR 380 CO 0.03 0.91 -0.08 0.52 -1.64 0.00 0.00 178.16 177.91 3gtm h MET 381 N 1.14 -0.21 -0.69 1.82 2.86 -0.71 -0.00 114.93 119.14 3gtm h MET 381 Ca 0.26 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.88 3gtm h MET 381 Cb 0.23 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 3gtm h MET 381 CO -0.02 -0.09 0.29 0.82 1.06 0.00 0.00 176.91 178.97 3gtm h ILE 382 N -0.27 1.24 -0.14 -1.22 2.04 -1.02 -0.50 117.51 117.63 3gtm h ILE 382 Ca -0.02 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.15 3gtm h ILE 382 Cb 0.21 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 3gtm h ILE 382 CO 0.04 0.29 -0.13 -1.13 0.00 0.00 0.00 178.15 177.22 3gtm h ASN 383 N 0.97 -0.42 -0.69 1.72 -1.24 0.49 -1.24 115.58 115.17 3gtm h ASN 383 Ca 0.23 0.08 0.05 0.00 0.71 0.00 0.00 56.30 57.38 3gtm h ASN 383 Cb 0.18 0.21 -0.05 0.00 0.73 0.00 0.00 38.32 39.39 3gtm h ASN 383 CO -0.02 -0.18 0.41 0.03 -1.29 0.00 0.00 177.43 176.38 3gtm h ARG 384 N -0.16 0.74 -0.38 6.67 2.47 -0.63 -2.10 114.38 120.99 3gtm h ARG 384 Ca 0.10 -0.04 0.04 0.00 -1.26 0.00 0.00 59.98 58.81 3gtm h ARG 384 Cb 0.30 -0.17 -0.04 0.00 -1.65 0.00 0.00 29.97 28.41 3gtm h ARG 384 CO -0.24 0.49 0.14 1.25 0.56 0.00 0.00 179.97 182.17 3gtm h LEU 385 N 0.76 0.16 -0.19 3.04 5.85 -0.54 -2.82 115.31 121.58 3gtm h LEU 385 Ca 0.30 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 3gtm h LEU 385 Cb 0.14 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3gtm h LEU 385 CO -0.16 0.13 0.11 -0.07 -0.34 0.00 0.00 178.44 178.11 3gtm h LEU 386 N 0.30 0.22 -1.52 2.25 3.38 -0.78 -2.62 115.31 116.55 3gtm h LEU 386 Ca 0.17 -0.05 0.33 0.00 0.09 0.00 0.00 57.88 58.42 3gtm h LEU 386 Cb 0.14 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 3gtm h LEU 386 CO -0.17 0.21 0.77 -0.07 0.09 0.00 0.00 178.44 179.28 3gtm h LEU 387 N 0.22 0.29 -0.18 1.67 4.07 -1.14 0.73 115.31 120.98 3gtm h LEU 387 Ca 0.07 0.08 -0.22 0.00 0.08 0.00 0.00 57.88 57.88 3gtm h LEU 387 Cb 0.03 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 3gtm h LEU 387 CO -0.01 -0.00 -0.94 0.00 -1.08 0.00 0.00 178.44 176.40 3gtm n ALA 389 N -2.52 2.34 0.27 0.00 0.00 0.19 -2.55 120.51 118.23 3gtm n ALA 389 Ca -0.06 -0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.35 3gtm n ALA 389 Cb 0.84 -1.45 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 3gtm n ALA 389 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gtm n LEU 390 N -1.35 0.27 -1.95 0.00 4.77 -0.81 -5.01 117.00 112.93 3gtm n LEU 390 Ca 0.11 -0.16 -0.09 0.00 -0.03 0.00 0.00 56.01 55.85 3gtm n LEU 390 Cb 0.25 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.38 3gtm n LEU 390 CO 0.22 0.07 0.08 0.47 -1.33 0.00 0.00 177.39 176.90 3gtm n ASP 391 N -1.94 -2.97 -0.00 -1.43 10.43 -0.83 -4.93 116.55 114.87 3gtm n ASP 391 Ca -0.01 -0.25 0.07 0.00 2.57 0.00 0.00 54.79 57.17 3gtm n ASP 391 Cb 0.43 -2.49 -0.09 0.00 1.84 0.00 0.00 41.12 40.81 3gtm n ASP 391 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3gtm n ARG 392 N -2.41 1.60 -3.78 -1.24 1.74 -0.55 -4.97 116.66 107.06 3gtm n ARG 392 Ca -0.06 -0.03 -0.13 0.00 -0.77 0.00 0.00 57.85 56.86 3gtm n ARG 392 Cb 0.55 -1.26 -0.11 0.00 -1.02 0.00 0.00 32.46 30.62 3gtm n ARG 392 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3gtm s LYS 393 N -2.59 0.41 0.24 5.56 -0.14 -1.19 -5.02 119.74 117.01 3gtm s LYS 393 Ca 0.04 0.22 -0.17 0.00 -1.36 0.00 0.00 55.97 54.69 3gtm s LYS 393 Cb 0.11 0.19 -0.08 0.00 -1.68 0.00 0.00 37.83 36.37 3gtm s LYS 393 CO 0.64 -0.07 0.70 -0.51 -0.76 0.00 0.00 175.35 175.35 3gtm s ASP 394 N -0.26 6.94 -0.37 2.83 1.01 -1.26 -4.31 116.67 121.25 3gtm s ASP 394 Ca -0.04 1.33 -0.38 0.00 0.71 0.00 0.00 52.55 54.17 3gtm s ASP 394 Cb -0.03 -2.39 -0.13 0.00 1.01 0.00 0.00 42.92 41.38 3gtm s ASP 394 CO 0.01 -0.03 2.14 1.67 0.21 0.00 0.00 175.17 179.17 3gtm n GLN 395 N 0.39 0.86 -1.25 8.23 7.27 -1.26 -4.68 117.38 126.94 3gtm n GLN 395 Ca -0.01 0.24 -0.49 0.00 0.07 0.00 0.00 57.00 56.81 3gtm n GLN 395 Cb 0.52 -2.22 -0.07 0.00 2.41 0.00 0.00 30.24 30.88 3gtm n GLN 395 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3gtm n ASP 396 N 8.94 0.16 -4.68 1.69 8.00 -0.53 -4.87 116.55 125.26 3gtm n ASP 396 Ca 0.43 0.94 -0.42 0.00 0.71 0.00 0.00 54.79 56.45 3gtm n ASP 396 Cb 0.16 -0.74 -0.03 0.00 -0.02 0.00 0.00 41.12 40.50 3gtm n ASP 396 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gtm s ASP 397 N 0.41 6.73 -0.09 -2.24 2.15 -1.26 -4.93 116.67 117.44 3gtm s ASP 397 Ca 0.76 2.22 -0.20 0.00 0.43 0.00 0.00 52.55 55.76 3gtm s ASP 397 Cb -1.06 -2.55 -0.28 0.00 -0.30 0.00 0.00 42.92 38.72 3gtm s ASP 397 CO 0.50 -0.84 0.71 0.03 -0.17 0.00 0.00 175.17 175.40 3gtm h ARG 398 N 8.59 0.23 0.00 4.34 3.08 -1.99 -3.36 114.38 125.26 3gtm h ARG 398 Ca -0.39 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.27 3gtm h ARG 398 Cb 1.18 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3gtm h ARG 398 CO 0.93 1.19 0.00 -0.25 -1.07 0.00 0.00 179.97 180.77 3gtm n ASP 399 N -4.12 0.00 -4.70 7.04 8.00 -1.26 -4.82 116.55 116.69 3gtm n ASP 399 Ca -0.19 0.20 -0.59 0.00 0.71 0.00 0.00 54.79 54.92 3gtm n ASP 399 Cb 0.81 -0.38 -0.08 0.00 -0.02 0.00 0.00 41.12 41.45 3gtm n ASP 399 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 3gtm n HIS 400 N -1.38 1.86 -0.03 1.24 -0.00 -1.26 -4.82 115.22 110.83 3gtm n HIS 400 Ca 0.08 0.71 -0.03 0.00 0.46 0.00 0.00 57.72 58.95 3gtm n HIS 400 Cb 0.22 -2.37 0.21 0.00 -0.12 0.00 0.00 29.99 27.93 3gtm n HIS 400 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 3gtm h PHE 401 N 6.20 0.63 0.00 1.57 3.57 -1.91 -2.60 116.94 124.41 3gtm h PHE 401 Ca -0.46 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 60.94 3gtm h PHE 401 Cb 1.34 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.91 3gtm h PHE 401 CO 0.71 0.68 0.00 0.41 -2.23 0.00 0.00 178.31 177.89 3gtm n GLY 402 N -0.58 -0.41 0.06 2.40 0.00 -1.26 -0.80 105.19 104.60 3gtm n GLY 402 Ca 0.01 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.03 3gtm n GLY 402 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gtm n LYS 403 N -0.58 1.62 -4.39 1.61 5.02 -0.98 -4.57 118.16 115.89 3gtm n LYS 403 Ca 0.02 -1.40 -0.25 0.00 -2.02 0.00 0.00 58.31 54.66 3gtm n LYS 403 Cb 0.01 -0.92 -0.10 0.00 -0.02 0.00 0.00 35.03 34.00 3gtm n LYS 403 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3gtm s LYS 404 N -1.00 1.86 0.07 1.97 1.02 0.02 -1.16 119.74 122.52 3gtm s LYS 404 Ca 0.06 -1.57 0.06 0.00 0.02 0.00 0.00 55.97 54.54 3gtm s LYS 404 Cb 0.05 -1.93 -0.03 0.00 -0.52 0.00 0.00 37.83 35.40 3gtm s LYS 404 CO 0.01 0.37 -0.16 1.03 -0.92 0.00 0.00 175.35 175.67 3gtm s ARG 405 N -3.31 0.94 -0.11 1.68 1.81 -0.02 -4.72 118.95 115.21 3gtm s ARG 405 Ca 0.28 -0.98 -0.15 0.00 -1.72 0.00 0.00 55.73 53.16 3gtm s ARG 405 Cb -0.06 -1.03 -0.05 0.00 -0.45 0.00 0.00 34.95 33.36 3gtm s ARG 405 CO 0.15 0.24 0.35 -0.51 -0.68 0.00 0.00 175.30 174.85 3gtm s LEU 406 N -1.67 4.31 -0.38 2.53 1.43 0.21 -1.18 118.68 123.93 3gtm s LEU 406 Ca 0.01 0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 53.64 3gtm s LEU 406 Cb -0.10 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.66 3gtm s LEU 406 CO 0.03 0.15 0.29 -1.81 0.23 0.00 0.00 176.35 175.23 3gtm s ASP 407 N 0.07 6.10 0.16 2.29 1.01 -1.04 -4.45 116.67 120.82 3gtm s ASP 407 Ca 0.20 -0.69 0.02 0.00 0.71 0.00 0.00 52.55 52.80 3gtm s ASP 407 Cb -0.14 -2.16 0.03 0.00 1.01 0.00 0.00 42.92 41.66 3gtm s ASP 407 CO 0.07 -0.38 0.21 0.18 0.21 0.00 0.00 175.17 175.47 3gtm n LEU 408 N 5.18 0.00 -0.18 1.23 4.32 -1.26 -0.89 117.00 125.41 3gtm n LEU 408 Ca -0.11 -0.66 -0.02 0.00 -0.02 0.00 0.00 56.01 55.20 3gtm n LEU 408 Cb 0.48 -0.11 0.06 0.00 -1.62 0.00 0.00 43.42 42.23 3gtm n LEU 408 CO 0.40 -0.56 0.79 0.00 -1.22 0.00 0.00 177.39 176.80 3gtm h ALA 409 N 0.37 0.44 -0.87 -1.18 0.00 -1.88 -0.68 119.26 115.45 3gtm h ALA 409 Ca -0.07 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gtm h ALA 409 Cb 0.33 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3gtm h ALA 409 CO 0.10 -0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.34 3gtm n GLY 410 N -1.36 -2.91 0.41 0.00 0.00 -1.26 -1.39 105.19 98.68 3gtm n GLY 410 Ca 0.06 0.29 0.21 0.00 0.00 0.00 0.00 46.02 46.58 3gtm n GLY 410 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gtm h PRO 411 N 0.00 0.00 0.21 1.61 0.11 -1.85 -0.96 132.00 131.12 3gtm h PRO 411 Ca 0.00 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.83 3gtm h PRO 411 Cb 0.00 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.14 3gtm h PRO 411 CO 0.00 0.00 -1.23 -0.07 -0.21 0.00 0.00 178.00 176.49 3gtm h LEU 412 N 0.00 0.71 -0.87 2.35 3.38 -0.55 -1.98 115.31 118.34 3gtm h LEU 412 Ca 0.23 -0.93 -0.10 0.00 0.09 0.00 0.00 57.88 57.16 3gtm h LEU 412 Cb 1.49 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3gtm h LEU 412 CO -0.00 1.60 -0.48 -0.07 0.09 0.00 0.00 178.44 179.57 3gtm h LEU 413 N -0.05 0.00 -1.09 1.67 3.38 -0.45 -2.78 115.31 116.00 3gtm h LEU 413 Ca -0.22 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 3gtm h LEU 413 Cb 1.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.71 3gtm h LEU 413 CO 0.23 0.48 -0.24 0.00 0.09 0.00 0.00 178.44 179.00 3gtm h ALA 414 N 1.52 1.23 -0.00 1.53 0.00 -1.20 0.42 119.26 122.77 3gtm h ALA 414 Ca -0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 3gtm h ALA 414 Cb 0.97 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3gtm h ALA 414 CO 0.06 0.50 -0.68 0.37 0.00 0.00 0.00 179.25 179.50 3gtm h GLN 415 N 0.32 0.01 0.04 0.00 4.15 -1.13 -3.11 115.11 115.39 3gtm h GLN 415 Ca 0.05 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 3gtm h GLN 415 Cb 0.60 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.29 3gtm h GLN 415 CO 0.04 0.69 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.54 3gtm h LEU 416 N 0.01 -0.05 -1.22 -2.39 3.38 -1.18 -3.33 115.31 110.53 3gtm h LEU 416 Ca -0.01 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.25 3gtm h LEU 416 Cb 1.21 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.85 3gtm h LEU 416 CO 0.09 0.39 0.66 0.15 0.09 0.00 0.00 178.44 179.82 3gtm h PHE 417 N -0.91 0.78 0.04 1.13 3.57 -0.29 0.74 116.94 122.00 3gtm h PHE 417 Ca -0.01 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3gtm h PHE 417 Cb 0.04 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 3gtm h PHE 417 CO 0.00 -0.00 -0.14 0.87 -2.23 0.00 0.00 178.31 176.81 3gtm h LYS 418 N 0.40 -0.24 0.00 1.11 1.57 -1.71 0.35 116.57 118.04 3gtm h LYS 418 Ca 0.66 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.45 3gtm h LYS 418 Cb 1.58 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.94 3gtm h LYS 418 CO -0.40 -0.16 0.00 1.15 -0.57 0.00 0.00 179.45 179.47 3gtm h THR 419 N -0.25 0.00 0.03 -0.16 2.02 0.31 -1.38 112.91 113.48 3gtm h THR 419 Ca 0.04 -0.36 -0.33 0.00 0.77 0.00 0.00 66.41 66.52 3gtm h THR 419 Cb 0.29 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 3gtm h THR 419 CO -0.11 0.00 -1.84 0.18 0.37 0.00 0.00 175.52 174.13 3gtm n LEU 420 N -2.40 2.15 0.17 2.58 4.77 -0.16 -3.42 117.00 120.69 3gtm n LEU 420 Ca 0.03 0.31 0.13 0.00 -0.03 0.00 0.00 56.01 56.45 3gtm n LEU 420 Cb 0.30 -0.96 0.56 0.00 -2.33 0.00 0.00 43.42 41.00 3gtm n LEU 420 CO 0.24 0.53 0.90 0.15 -1.33 0.00 0.00 177.39 177.87 3gtm h PHE 421 N -0.69 0.00 0.15 -1.77 3.57 -0.30 0.59 116.94 118.49 3gtm h PHE 421 Ca -0.47 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 60.81 3gtm h PHE 421 Cb 1.59 0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.35 3gtm h PHE 421 CO 0.04 0.00 -0.95 0.87 -2.23 0.00 0.00 178.31 176.04 3gtm h LYS 422 N 0.00 0.38 0.00 1.11 1.57 -1.42 -1.02 116.57 117.19 3gtm h LYS 422 Ca 0.00 -0.61 -0.01 0.00 -1.87 0.00 0.00 60.65 58.16 3gtm h LYS 422 Cb 0.37 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 3gtm h LYS 422 CO 0.00 1.28 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.90 3gtm h LYS 423 N -0.20 0.00 0.00 3.15 3.64 -1.29 -1.02 116.57 120.86 3gtm h LYS 423 Ca -0.16 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 3gtm h LYS 423 Cb 1.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.55 3gtm h LYS 423 CO 0.18 0.04 -0.05 1.25 -2.27 0.00 0.00 179.45 178.60 3gtm h LEU 424 N 0.00 0.04 -0.97 5.20 5.85 -0.96 -3.26 115.31 121.21 3gtm h LEU 424 Ca -0.00 -0.84 0.29 0.00 0.84 0.00 0.00 57.88 58.17 3gtm h LEU 424 Cb 0.10 -0.01 -0.14 0.00 0.37 0.00 0.00 40.66 40.98 3gtm h LEU 424 CO 0.01 0.88 0.48 0.74 -0.34 0.00 0.00 178.44 180.20 3gtm h THR 425 N -0.79 0.34 -0.52 1.05 2.02 0.04 0.15 112.91 115.20 3gtm h THR 425 Ca -0.01 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3gtm h THR 425 Cb 0.89 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3gtm h THR 425 CO 0.01 0.06 0.01 2.29 0.37 0.00 0.00 175.52 178.26 3gtm n LYS 426 N -5.07 4.51 -0.06 6.66 2.85 -0.55 -3.08 118.16 123.42 3gtm n LYS 426 Ca 0.28 -2.85 -0.09 0.00 -1.05 0.00 0.00 58.31 54.61 3gtm n LYS 426 Cb 0.87 -2.20 -0.05 0.00 -0.65 0.00 0.00 35.03 32.99 3gtm n LYS 426 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3gtm n ASP 427 N 0.55 2.88 0.33 -5.58 10.43 0.47 -4.02 116.55 121.62 3gtm n ASP 427 Ca 0.25 -0.05 0.22 0.00 2.57 0.00 0.00 54.79 57.79 3gtm n ASP 427 Cb 1.12 -0.21 1.18 0.00 1.84 0.00 0.00 41.12 45.05 3gtm n ASP 427 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 3gtm h ILE 428 N -0.04 0.00 0.00 0.53 2.04 -1.53 -1.89 117.51 116.62 3gtm h ILE 428 Ca -0.27 -0.05 -0.17 0.00 1.00 0.00 0.00 64.86 65.37 3gtm h ILE 428 Cb 1.40 1.04 0.01 0.00 -0.74 0.00 0.00 36.82 38.54 3gtm h ILE 428 CO -0.05 0.00 -0.68 0.15 0.00 0.00 0.00 178.15 177.56 3gtm h PHE 429 N 0.00 0.68 -0.41 1.37 3.57 -1.73 -3.09 116.94 117.33 3gtm h PHE 429 Ca 0.00 -0.37 -0.05 0.00 3.53 0.00 0.00 57.97 61.07 3gtm h PHE 429 Cb 0.05 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3gtm h PHE 429 CO 0.00 1.20 0.04 0.00 -2.23 0.00 0.00 178.31 177.32 3gtm h ARG 430 N -0.03 0.64 -0.98 1.11 3.08 -1.50 -2.33 114.38 114.36 3gtm h ARG 430 Ca -0.09 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 59.84 3gtm h ARG 430 Cb 1.39 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 31.30 3gtm h ARG 430 CO 0.13 0.63 0.65 -0.92 -1.07 0.00 0.00 179.97 179.40 3gtm h TYR 431 N 0.61 1.24 0.00 3.04 3.20 -1.43 -1.74 116.97 121.88 3gtm h TYR 431 Ca 0.13 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 3gtm h TYR 431 Cb 0.33 -0.42 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 3gtm h TYR 431 CO 0.01 0.77 -0.47 0.52 -1.64 0.00 0.00 178.16 177.36 3gtm h MET 432 N 1.33 0.00 0.00 1.82 2.86 -1.38 -1.79 114.93 117.77 3gtm h MET 432 Ca 0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 3gtm h MET 432 Cb -0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.52 3gtm h MET 432 CO -0.08 0.47 0.00 1.04 1.06 0.00 0.00 176.91 179.39 3gtm n GLN 433 N -3.63 0.19 -1.48 1.72 6.02 -0.69 -2.51 117.38 117.00 3gtm n GLN 433 Ca -0.01 0.43 -0.25 0.00 -0.01 0.00 0.00 57.00 57.16 3gtm n GLN 433 Cb 0.55 -1.87 0.09 0.00 1.02 0.00 0.00 30.24 30.02 3gtm n GLN 433 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3gtm n ARG 434 N -2.23 2.84 -3.45 -1.09 1.74 -0.68 -4.88 116.66 108.92 3gtm n ARG 434 Ca 0.02 -3.57 -0.43 0.00 -0.77 0.00 0.00 57.85 53.10 3gtm n ARG 434 Cb 0.22 -2.20 -0.07 0.00 -1.02 0.00 0.00 32.46 29.39 3gtm n ARG 434 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3gtm s THR 435 N -4.38 4.66 -0.06 0.55 2.01 -1.04 -4.94 115.64 112.45 3gtm s THR 435 Ca 0.56 -1.70 -0.03 0.00 0.31 0.00 0.00 61.69 60.83 3gtm s THR 435 Cb 0.46 -4.03 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 3gtm s THR 435 CO 0.02 -0.82 -0.06 0.58 -0.69 0.00 0.00 174.62 173.64 3gtm h VAL 436 N 5.99 0.00 0.50 3.82 2.07 -1.90 -3.51 116.25 123.22 3gtm h VAL 436 Ca -0.24 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3gtm h VAL 436 Cb 1.08 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3gtm h VAL 436 CO 0.93 0.00 -0.27 1.05 0.02 0.00 0.00 177.57 179.30 3gtm h GLU 437 N -0.48 -0.69 -0.22 1.57 -0.00 -2.03 -3.55 114.58 109.18 3gtm h GLU 437 Ca 0.00 0.05 -0.05 0.00 -0.00 0.00 0.00 59.36 59.36 3gtm h GLU 437 Cb 0.17 0.16 -0.01 0.00 -0.00 0.00 0.00 28.75 29.07 3gtm h GLU 437 CO 0.00 -0.46 -0.05 1.28 -0.00 0.00 0.00 179.01 179.78 3gtm n LEU 446 N -4.04 -0.65 -0.55 3.06 4.77 -1.26 -5.26 117.00 113.07 3gtm n LEU 446 Ca -0.09 0.03 -0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3gtm n LEU 446 Cb 0.29 -0.76 -0.00 0.00 -2.33 0.00 0.00 43.42 40.61 3gtm n LEU 446 CO 0.21 -0.07 0.25 0.00 -1.33 0.00 0.00 177.39 176.44 3gtm n ALA 447 N -0.08 2.06 -2.58 -1.18 0.00 -1.26 -5.02 120.51 112.45 3gtm n ALA 447 Ca -0.03 -0.65 -0.43 0.00 0.00 0.00 0.00 53.44 52.33 3gtm n ALA 447 Cb 0.31 -0.31 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3gtm n ALA 447 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gtm s ILE 448 N 0.00 4.73 -1.21 0.00 1.01 -1.26 -4.74 121.20 119.73 3gtm s ILE 448 Ca 0.01 0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.58 3gtm s ILE 448 Cb 0.01 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 3gtm s ILE 448 CO -0.01 -0.72 1.88 -3.20 0.00 0.00 0.00 174.94 172.89 3gtm n ASN 449 N 6.52 3.78 -0.07 3.58 2.85 -1.26 -4.79 115.26 125.86 3gtm n ASN 449 Ca -0.01 -2.79 0.25 0.00 -0.11 0.00 0.00 54.58 51.93 3gtm n ASN 449 Cb 0.48 -1.68 0.65 0.00 1.24 0.00 0.00 39.78 40.46 3gtm n ASN 449 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gtm h ALA 450 N 8.51 2.55 -0.48 5.20 0.00 -1.85 0.32 119.26 133.51 3gtm h ALA 450 Ca 0.35 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.27 3gtm h ALA 450 Cb 0.87 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3gtm h ALA 450 CO 1.42 -1.14 0.32 -0.22 0.00 0.00 0.00 179.25 179.63 3gtm h LYS 451 N 0.00 0.50 -0.13 0.00 3.64 -1.86 -2.94 116.57 115.78 3gtm h LYS 451 Ca 0.35 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.73 3gtm h LYS 451 Cb 1.87 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 33.52 3gtm h LYS 451 CO -0.00 0.33 -0.49 1.15 -2.27 0.00 0.00 179.45 178.17 3gtm h THR 452 N 0.51 0.00 -0.32 1.00 2.02 -1.26 0.13 112.91 115.00 3gtm h THR 452 Ca 0.20 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.27 3gtm h THR 452 Cb 0.14 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 3gtm h THR 452 CO -0.05 0.00 -0.23 0.40 0.37 0.00 0.00 175.52 176.01 3gtm h ILE 453 N -0.52 1.27 -0.22 3.11 2.04 -1.73 -2.49 117.51 118.97 3gtm h ILE 453 Ca 0.03 -1.28 -0.12 0.00 1.00 0.00 0.00 64.86 64.48 3gtm h ILE 453 Cb 0.61 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 3gtm h ILE 453 CO -0.39 0.42 -0.34 0.74 0.00 0.00 0.00 178.15 178.57 3gtm h THR 454 N 0.55 1.32 0.00 -0.27 2.02 -1.32 -2.90 112.91 112.32 3gtm h THR 454 Ca 0.08 -1.55 -0.16 0.00 0.77 0.00 0.00 66.41 65.55 3gtm h THR 454 Cb 0.68 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 3gtm h THR 454 CO 0.05 0.48 -0.76 0.77 0.37 0.00 0.00 175.52 176.44 3gtm h SER 455 N 0.31 0.00 -0.17 4.18 4.64 -0.72 -2.65 113.55 119.15 3gtm h SER 455 Ca 0.02 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.15 3gtm h SER 455 Cb 0.93 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3gtm h SER 455 CO 0.08 0.76 -0.62 1.23 -0.87 0.00 0.00 176.83 177.41 3gtm h GLY 456 N 2.38 0.78 2.00 -0.77 0.00 -1.52 -1.86 103.07 104.09 3gtm h GLY 456 Ca -0.01 -1.05 -0.04 0.00 0.00 0.00 0.00 47.33 46.24 3gtm h GLY 456 CO 0.10 0.94 -0.17 1.41 0.00 0.00 0.00 176.54 178.82 3gtm h LEU 457 N 0.41 0.00 0.23 3.11 3.38 -1.49 -2.11 115.31 118.84 3gtm h LEU 457 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3gtm h LEU 457 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3gtm h LEU 457 CO 0.13 0.17 -0.11 0.11 0.09 0.00 0.00 178.44 178.83 3gtm h LYS 458 N 0.00 -0.29 -0.23 1.13 1.57 -1.38 -3.24 116.57 114.13 3gtm h LYS 458 Ca -0.00 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 3gtm h LYS 458 Cb 0.45 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.76 3gtm h LYS 458 CO 0.02 0.07 -0.30 -0.92 -0.57 0.00 0.00 179.45 177.75 3gtm h TYR 459 N -0.92 -0.82 -0.14 -1.35 3.20 -1.12 0.84 116.97 116.66 3gtm h TYR 459 Ca -0.03 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 3gtm h TYR 459 Cb 0.49 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 3gtm h TYR 459 CO 0.06 -0.37 0.09 0.00 -1.64 0.00 0.00 178.16 176.29 3gtm h ALA 460 N 0.61 1.89 -0.18 1.82 0.00 -1.55 0.33 119.26 122.18 3gtm h ALA 460 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gtm h ALA 460 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gtm h ALA 460 CO -0.41 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.23 3gtm n LEU 461 N -4.51 2.19 -0.07 0.00 4.32 -0.71 -2.42 117.00 115.80 3gtm n LEU 461 Ca -0.01 -0.88 -0.04 0.00 -0.02 0.00 0.00 56.01 55.06 3gtm n LEU 461 Cb 0.08 -0.11 -0.15 0.00 -1.62 0.00 0.00 43.42 41.63 3gtm n LEU 461 CO 0.35 0.44 -1.01 0.00 -1.22 0.00 0.00 177.39 175.95 3gtm n ALA 462 N 0.68 1.84 -0.02 -1.18 0.00 0.10 -4.79 120.51 117.13 3gtm n ALA 462 Ca 0.17 -1.03 -0.06 0.00 0.00 0.00 0.00 53.44 52.52 3gtm n ALA 462 Cb 0.43 -0.27 -0.02 0.00 0.00 0.00 0.00 19.45 19.59 3gtm n ALA 462 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3gtm n THR 463 N -2.56 1.14 0.00 0.00 -1.04 -0.32 -5.02 114.28 106.48 3gtm n THR 463 Ca -0.23 0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3gtm n THR 463 Cb 0.95 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 3gtm n THR 463 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gtm n GLY 464 N 2.56 0.98 2.86 3.41 0.00 -1.02 -4.76 105.19 109.22 3gtm n GLY 464 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 3gtm n GLY 464 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gtm n ASN 465 N 0.00 3.71 -0.06 1.61 5.03 -1.26 -3.52 115.26 120.78 3gtm n ASN 465 Ca 0.00 -2.69 -0.05 0.00 0.87 0.00 0.00 54.58 52.71 3gtm n ASN 465 Cb 0.00 -1.34 -0.04 0.00 -1.02 0.00 0.00 39.78 37.39 3gtm n ASN 465 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.26 175.18 3gtm h TRP 466 N 6.84 -0.61 -0.45 3.10 -0.00 -1.82 -3.38 115.95 119.63 3gtm h TRP 466 Ca 0.52 0.03 -0.16 0.00 -0.00 0.00 0.00 58.89 59.28 3gtm h TRP 466 Cb 0.57 0.29 -0.02 0.00 -0.00 0.00 0.00 29.16 30.00 3gtm h TRP 466 CO 1.45 -0.17 0.44 0.20 -0.00 0.00 0.00 178.44 180.36 3gtm s GLY 467 N -1.48 -0.38 0.00 2.65 0.00 -1.26 -4.80 107.32 102.04 3gtm s GLY 467 Ca -0.05 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.28 3gtm s GLY 467 CO 0.22 3.88 0.00 1.18 0.00 0.00 0.00 173.10 178.38 3gtm n GLU 468 N 8.63 0.00 -3.09 2.90 1.02 -1.26 -4.71 120.64 124.13 3gtm n GLU 468 Ca 0.43 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.41 3gtm n GLU 468 Cb 0.46 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.83 3gtm n GLU 468 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3gtm n GLN 469 N 6.34 0.36 0.00 3.49 6.02 -1.26 -4.82 117.38 127.51 3gtm n GLN 469 Ca 0.00 -2.63 0.00 0.00 -0.01 0.00 0.00 57.00 54.36 3gtm n GLN 469 Cb 0.00 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 29.69 3gtm n GLN 469 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3gtm n SER 474 N 2.86 0.00 -4.15 1.08 7.64 -1.26 -5.24 113.62 114.54 3gtm n SER 474 Ca 0.24 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.89 3gtm n SER 474 Cb 0.52 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.63 3gtm n SER 474 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3gtm s SER 475 N -2.00 2.34 -0.87 6.43 1.04 -1.26 -4.89 113.70 114.48 3gtm s SER 475 Ca 0.00 -1.58 0.01 0.00 0.48 0.00 0.00 55.95 54.86 3gtm s SER 475 Cb 0.00 0.35 0.30 0.00 0.10 0.00 0.00 66.02 66.77 3gtm s SER 475 CO 0.00 -0.85 1.29 -2.11 0.98 0.00 0.00 173.24 172.55 3gtm n ARG 476 N -0.77 4.02 -1.44 4.02 1.85 -1.26 -4.98 116.66 118.10 3gtm n ARG 476 Ca -0.03 -4.67 -0.38 0.00 -1.00 0.00 0.00 57.85 51.77 3gtm n ARG 476 Cb 0.65 -2.39 0.05 0.00 -1.05 0.00 0.00 32.46 29.72 3gtm n ARG 476 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3gtm n ALA 477 N 0.57 -1.11 0.00 2.89 0.00 -1.25 -3.88 120.51 117.73 3gtm n ALA 477 Ca 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3gtm n ALA 477 Cb 0.34 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 17.94 3gtm n ALA 477 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gtm n GLY 478 N 1.72 1.02 3.96 0.00 0.00 -1.23 -4.97 105.19 105.69 3gtm n GLY 478 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 3gtm n GLY 478 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtm s VAL 479 N -2.00 3.79 -0.07 1.61 1.01 -1.24 -4.90 120.40 118.60 3gtm s VAL 479 Ca 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 3gtm s VAL 479 Cb 0.00 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 33.01 3gtm s VAL 479 CO 0.00 -0.25 0.10 -0.24 0.00 0.00 0.00 175.10 174.71 3gtm n SER 480 N -2.05 -4.21 -4.40 3.32 2.88 -1.18 -3.98 113.62 104.00 3gtm n SER 480 Ca 0.02 1.36 -0.20 0.00 -1.33 0.00 0.00 58.87 58.72 3gtm n SER 480 Cb 0.58 -3.96 -0.10 0.00 -0.75 0.00 0.00 64.21 59.97 3gtm n SER 480 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3gtm s GLN 481 N -0.42 1.50 -0.01 -1.46 -0.21 0.33 -4.39 119.66 115.00 3gtm s GLN 481 Ca -0.12 -1.77 -0.30 0.00 0.02 0.00 0.00 55.36 53.19 3gtm s GLN 481 Cb 0.01 -0.98 -0.05 0.00 1.00 0.00 0.00 33.01 32.99 3gtm s GLN 481 CO 0.31 -0.02 1.33 0.08 -2.12 0.00 0.00 175.29 174.87 3gtm s VAL 482 N -3.15 3.86 0.26 1.09 1.01 -1.26 0.16 120.40 122.37 3gtm s VAL 482 Ca 0.30 1.24 -0.31 0.00 0.00 0.00 0.00 61.98 63.21 3gtm s VAL 482 Cb 0.05 -3.80 -0.13 0.00 0.00 0.00 0.00 36.38 32.50 3gtm s VAL 482 CO 0.11 0.01 1.48 -0.11 0.00 0.00 0.00 175.10 176.58 3gtm n LEU 483 N 5.20 3.59 -4.53 3.92 7.94 0.24 -4.87 117.00 128.49 3gtm n LEU 483 Ca 0.12 1.15 -0.42 0.00 -1.11 0.00 0.00 56.01 55.75 3gtm n LEU 483 Cb 0.44 -1.49 -0.03 0.00 0.53 0.00 0.00 43.42 42.87 3gtm n LEU 483 CO 0.57 -0.25 1.02 0.20 -1.11 0.00 0.00 177.39 177.82 3gtm s ASN 484 N 0.35 6.21 -0.62 1.96 0.01 -1.26 -4.88 114.94 116.70 3gtm s ASN 484 Ca 0.66 -0.52 -0.00 0.00 -0.71 0.00 0.00 52.86 52.29 3gtm s ASN 484 Cb -0.59 -2.51 0.44 0.00 0.41 0.00 0.00 41.25 39.00 3gtm s ASN 484 CO 0.50 -1.65 1.87 0.54 -1.51 0.00 0.00 177.10 176.85 3gtm n ARG 485 N 8.69 2.87 -0.02 -0.60 3.00 -1.26 -2.38 116.66 126.97 3gtm n ARG 485 Ca 0.02 -3.50 -0.12 0.00 -0.01 0.00 0.00 57.85 54.23 3gtm n ARG 485 Cb 0.48 -2.28 0.00 0.00 0.00 0.00 0.00 32.46 30.66 3gtm n ARG 485 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 3gtm h TYR 486 N 2.17 0.85 -2.29 -1.55 0.99 -1.90 -3.46 116.97 111.78 3gtm h TYR 486 Ca 0.56 -0.33 -0.08 0.00 2.00 0.00 0.00 58.73 60.88 3gtm h TYR 486 Cb 0.84 -0.15 -0.20 0.00 1.00 0.00 0.00 36.73 38.22 3gtm h TYR 486 CO 1.29 1.11 0.04 0.99 -0.00 0.00 0.00 178.16 181.60 3gtm s THR 487 N -3.93 0.01 0.62 -2.88 2.01 -1.26 -4.12 115.64 106.10 3gtm s THR 487 Ca -0.08 -0.11 0.32 0.00 0.31 0.00 0.00 61.69 62.12 3gtm s THR 487 Cb 0.10 -0.88 0.36 0.00 0.01 0.00 0.00 72.50 72.10 3gtm s THR 487 CO 0.87 -0.06 2.09 0.22 -0.69 0.00 0.00 174.62 177.05 3gtm h TYR 488 N 3.66 0.00 0.06 4.92 3.20 -1.82 0.72 116.97 127.71 3gtm h TYR 488 Ca -0.28 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.34 3gtm h TYR 488 Cb 1.15 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.43 3gtm h TYR 488 CO 0.42 0.00 -1.07 0.66 -1.64 0.00 0.00 178.16 176.52 3gtm h SER 489 N 0.00 0.56 -0.03 -2.11 4.64 -1.89 -3.07 113.55 111.65 3gtm h SER 489 Ca 0.06 -0.50 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 3gtm h SER 489 Cb 0.50 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3gtm h SER 489 CO -0.00 1.32 -0.05 -1.28 -0.87 0.00 0.00 176.83 175.95 3gtm h SER 490 N 0.19 0.10 -0.74 4.97 0.87 -0.10 -2.94 113.55 115.91 3gtm h SER 490 Ca -0.11 -0.55 0.16 0.00 -1.23 0.00 0.00 61.79 60.06 3gtm h SER 490 Cb 1.74 -0.03 -0.11 0.00 -0.44 0.00 0.00 62.40 63.56 3gtm h SER 490 CO 0.19 0.63 0.19 0.74 -0.53 0.00 0.00 176.83 178.05 3gtm h THR 491 N -0.42 0.52 -0.68 2.23 2.02 0.42 -0.83 112.91 116.17 3gtm h THR 491 Ca 0.00 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 3gtm h THR 491 Cb 0.61 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 3gtm h THR 491 CO 0.01 0.05 0.24 -0.07 0.37 0.00 0.00 175.52 176.12 3gtm h LEU 492 N 0.28 0.96 -0.74 2.58 3.38 -1.55 -2.99 115.31 117.24 3gtm h LEU 492 Ca 0.42 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 58.06 3gtm h LEU 492 Cb 0.71 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3gtm h LEU 492 CO -0.51 0.90 -0.48 -1.28 0.09 0.00 0.00 178.44 177.16 3gtm h SER 493 N 0.98 0.39 0.82 -0.43 0.87 -1.01 -3.05 113.55 112.12 3gtm h SER 493 Ca 0.22 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 3gtm h SER 493 Cb 0.26 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3gtm h SER 493 CO -0.01 0.81 -0.19 -0.74 -0.53 0.00 0.00 176.83 176.17 3gtm h HIS 494 N 0.29 0.00 0.00 2.24 -0.00 -1.11 -2.81 115.15 113.76 3gtm h HIS 494 Ca 0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 60.21 3gtm h HIS 494 Cb 0.96 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.34 3gtm h HIS 494 CO 0.03 0.19 -0.94 -0.07 -0.00 0.00 0.00 177.93 177.14 3gtm h LEU 495 N 0.00 0.00 -3.98 0.26 3.38 -1.45 -3.29 115.31 110.24 3gtm h LEU 495 Ca -0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 3gtm h LEU 495 Cb 0.65 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.11 3gtm h LEU 495 CO 0.03 0.80 0.74 0.54 0.09 0.00 0.00 178.44 180.63 3gtm n ARG 496 N -3.24 2.58 -3.00 1.13 1.74 -1.06 -4.91 116.66 109.89 3gtm n ARG 496 Ca -0.02 -3.24 -0.27 0.00 -0.77 0.00 0.00 57.85 53.55 3gtm n ARG 496 Cb 0.88 -2.25 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 3gtm n ARG 496 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3gtm s ARG 497 N -3.66 3.57 0.03 5.56 3.52 -1.21 -2.81 118.95 123.94 3gtm s ARG 497 Ca 0.62 0.05 0.01 0.00 -0.13 0.00 0.00 55.73 56.28 3gtm s ARG 497 Cb 0.50 -2.51 -0.02 0.00 -1.56 0.00 0.00 34.95 31.36 3gtm s ARG 497 CO 0.02 -0.01 -0.05 0.99 -0.81 0.00 0.00 175.30 175.45 3gtm s THR 498 N -2.45 0.35 0.03 4.11 2.01 0.71 -3.53 115.64 116.86 3gtm s THR 498 Ca 0.45 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.66 3gtm s THR 498 Cb -0.10 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.97 3gtm s THR 498 CO 0.38 -0.33 -0.13 0.21 -0.69 0.00 0.00 174.62 174.06 3gtm s ASN 499 N -1.24 1.58 -0.33 3.53 3.84 -0.17 -2.09 114.94 120.06 3gtm s ASN 499 Ca -0.10 -0.40 -0.02 0.00 0.21 0.00 0.00 52.86 52.56 3gtm s ASN 499 Cb -0.08 -0.11 0.12 0.00 -0.55 0.00 0.00 41.25 40.62 3gtm s ASN 499 CO -0.00 0.05 0.16 -0.89 -2.79 0.00 0.00 177.10 173.64 3gtm s THR 500 N -0.72 0.24 0.24 -5.21 2.01 -1.05 0.44 115.64 111.58 3gtm s THR 500 Ca 0.02 -1.33 -0.30 0.00 0.31 0.00 0.00 61.69 60.39 3gtm s THR 500 Cb -0.07 -1.19 -0.10 0.00 0.01 0.00 0.00 72.50 71.15 3gtm s THR 500 CO 0.01 -0.83 1.39 -2.16 -0.69 0.00 0.00 174.62 172.34 3gtm s PRO 501 N 1.53 4.31 0.00 4.92 0.04 -1.26 -4.85 135.00 139.68 3gtm s PRO 501 Ca 0.13 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.39 3gtm s PRO 501 Cb -0.19 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.21 3gtm s PRO 501 CO -0.19 -0.36 0.00 -0.89 0.04 0.00 0.00 177.00 175.61 3gtm n ILE 502 N 2.34 0.00 -3.55 0.56 5.41 -1.26 -5.09 119.36 117.77 3gtm n ILE 502 Ca 0.06 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.52 3gtm n ILE 502 Cb 0.41 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 39.22 3gtm n ILE 502 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3gtm s LYS 507 N -0.47 0.95 0.00 0.38 1.02 -1.26 -5.27 119.74 115.09 3gtm s LYS 507 Ca 0.00 -1.79 0.00 0.00 0.02 0.00 0.00 55.97 54.20 3gtm s LYS 507 Cb 0.00 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.54 3gtm s LYS 507 CO 0.00 -1.23 0.00 1.28 -0.92 0.00 0.00 175.35 174.48 3gtm n LEU 508 N 3.56 -0.91 0.00 3.17 4.77 -1.26 -5.09 117.00 121.24 3gtm n LEU 508 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3gtm n LEU 508 Cb 0.38 0.57 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 3gtm n LEU 508 CO 0.17 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.23 3gtm n ALA 509 N 0.73 0.00 -0.14 -1.18 0.00 -1.26 -5.08 120.51 113.59 3gtm n ALA 509 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3gtm n ALA 509 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3gtm n ALA 509 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gtm n LYS 510 N 0.00 -0.15 -0.21 0.00 4.01 -1.26 -3.33 118.16 117.22 3gtm n LYS 510 Ca 0.00 0.82 -0.02 0.00 -0.51 0.00 0.00 58.31 58.61 3gtm n LYS 510 Cb 0.00 -1.22 0.01 0.00 -0.51 0.00 0.00 35.03 33.31 3gtm n LYS 510 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 3gtm n PRO 511 N -3.76 -0.15 -0.32 1.97 -0.04 -1.26 -0.04 135.00 131.40 3gtm n PRO 511 Ca 0.01 0.83 0.13 0.00 -0.04 0.00 0.00 63.50 64.43 3gtm n PRO 511 Cb 0.09 -1.23 0.27 0.00 -0.04 0.00 0.00 33.50 32.59 3gtm n PRO 511 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gtm h ARG 512 N 0.00 0.05 -4.43 0.54 3.08 -1.79 -3.42 114.38 108.41 3gtm h ARG 512 Ca 0.17 -0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.63 3gtm h ARG 512 Cb 0.31 -0.01 0.04 0.00 0.08 0.00 0.00 29.97 30.38 3gtm h ARG 512 CO -0.53 0.03 0.07 0.94 -1.07 0.00 0.00 179.97 179.40 3gtm n GLN 513 N -5.43 0.00 -1.87 0.04 -0.06 0.94 -4.72 117.38 106.29 3gtm n GLN 513 Ca 0.22 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.79 3gtm n GLN 513 Cb 0.71 -1.11 -0.03 0.00 -4.06 0.00 0.00 30.24 25.76 3gtm n GLN 513 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 3gtm s LEU 514 N 0.10 4.04 -0.02 1.69 2.96 -1.26 -4.97 118.68 121.22 3gtm s LEU 514 Ca 0.68 2.09 -0.08 0.00 -0.22 0.00 0.00 54.13 56.59 3gtm s LEU 514 Cb -0.94 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.17 3gtm s LEU 514 CO 0.43 -1.28 0.27 -2.28 -1.32 0.00 0.00 176.35 172.17 3gtm s HIS 515 N 5.39 3.61 0.28 5.38 5.65 -1.26 -5.00 115.29 129.34 3gtm s HIS 515 Ca 0.82 0.65 -0.04 0.00 0.25 0.00 0.00 55.06 56.74 3gtm s HIS 515 Cb -0.33 -2.04 0.58 0.00 -1.18 0.00 0.00 32.58 29.60 3gtm s HIS 515 CO 0.34 0.65 1.58 -0.91 -0.65 0.00 0.00 174.74 175.75 3gtm h ASN 516 N 4.35 -0.60 -0.47 9.88 2.35 -1.98 0.15 115.58 129.26 3gtm h ASN 516 Ca -0.51 0.27 0.14 0.00 -0.55 0.00 0.00 56.30 55.64 3gtm h ASN 516 Cb 1.21 0.50 -0.02 0.00 0.05 0.00 0.00 38.32 40.06 3gtm h ASN 516 CO 0.63 -0.31 0.39 0.71 -1.65 0.00 0.00 177.43 177.21 3gtm h THR 517 N 0.02 0.58 -0.07 2.81 1.35 -1.95 -1.96 112.91 113.71 3gtm h THR 517 Ca 0.51 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 66.39 3gtm h THR 517 Cb 0.94 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.07 3gtm h THR 517 CO -0.89 0.00 0.26 0.45 -0.25 0.00 0.00 175.52 175.08 3gtm h HIS 518 N 0.00 0.00 -1.59 4.73 3.86 -1.06 -3.44 115.15 117.65 3gtm h HIS 518 Ca 0.22 0.00 -0.72 0.00 -1.16 0.00 0.00 60.37 58.71 3gtm h HIS 518 Cb 1.00 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.49 3gtm h HIS 518 CO 0.00 0.00 0.81 1.87 0.86 0.00 0.00 177.93 181.47 3gtm n TRP 519 N -3.14 1.94 0.00 2.45 -0.00 -0.74 -1.13 117.44 116.82 3gtm n TRP 519 Ca -0.01 0.54 0.00 0.00 -0.00 0.00 0.00 57.50 58.04 3gtm n TRP 519 Cb 0.33 -2.44 0.00 0.00 -0.00 0.00 0.00 31.31 29.20 3gtm n TRP 519 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3gtm n GLY 520 N 3.82 3.12 0.22 5.87 0.00 -1.26 -4.74 105.19 112.22 3gtm n GLY 520 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 3gtm n GLY 520 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtm n LEU 521 N 0.00 1.80 -4.74 0.99 4.77 -0.43 -4.29 117.00 115.09 3gtm n LEU 521 Ca 0.00 0.30 -0.33 0.00 -0.03 0.00 0.00 56.01 55.95 3gtm n LEU 521 Cb 0.00 -0.71 -0.08 0.00 -2.33 0.00 0.00 43.42 40.31 3gtm n LEU 521 CO 0.00 0.02 -0.27 -0.69 -1.33 0.00 0.00 177.39 175.12 3gtm s VAL 522 N -2.66 4.54 0.13 4.08 1.01 -0.29 0.08 120.40 127.31 3gtm s VAL 522 Ca -0.29 -0.40 -0.31 0.00 0.00 0.00 0.00 61.98 60.98 3gtm s VAL 522 Cb 0.08 -3.03 -0.09 0.00 0.00 0.00 0.00 36.38 33.34 3gtm s VAL 522 CO 0.40 0.42 1.44 0.00 0.00 0.00 0.00 175.10 177.36 3gtm h PRO 524 N 6.74 0.00 0.00 0.00 0.13 -1.90 -3.36 132.00 133.61 3gtm h PRO 524 Ca -0.42 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.50 3gtm h PRO 524 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 3gtm h PRO 524 CO 0.88 0.12 -1.72 0.00 -0.23 0.00 0.00 178.00 177.04 3gtm n ALA 525 N -2.15 1.99 -2.24 -0.56 0.00 -1.26 -5.00 120.51 111.28 3gtm n ALA 525 Ca 0.01 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.49 3gtm n ALA 525 Cb 0.40 0.29 -0.02 0.00 0.00 0.00 0.00 19.45 20.12 3gtm n ALA 525 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3gtm s GLU 526 N -2.24 3.88 -0.28 0.00 2.12 -1.26 -4.31 118.70 116.61 3gtm s GLU 526 Ca -0.18 1.53 -0.26 0.00 0.36 0.00 0.00 54.97 56.42 3gtm s GLU 526 Cb 0.06 -3.96 0.16 0.00 0.26 0.00 0.00 34.13 30.65 3gtm s GLU 526 CO 0.25 -1.18 1.24 -0.08 -0.54 0.00 0.00 175.26 174.95 3gtm s THR 527 N 4.74 0.00 0.96 -1.70 -1.32 -1.26 -4.30 115.64 112.76 3gtm s THR 527 Ca 0.65 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 61.01 3gtm s THR 527 Cb -0.22 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 69.94 3gtm s THR 527 CO 0.26 0.00 1.09 -2.16 -2.21 0.00 0.00 174.62 171.60 3gtm s PRO 528 N -0.13 0.75 0.08 7.08 0.04 -1.26 -4.90 135.00 136.65 3gtm s PRO 528 Ca 0.05 0.97 0.06 0.00 0.04 0.00 0.00 61.00 62.12 3gtm s PRO 528 Cb -0.04 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 3gtm s PRO 528 CO -0.10 -2.63 -0.08 -1.21 0.04 0.00 0.00 177.00 173.02 3gtm s GLU 529 N -4.78 2.27 1.71 4.56 2.02 -1.26 -4.19 118.70 119.03 3gtm s GLU 529 Ca 0.65 -0.94 0.00 0.00 0.02 0.00 0.00 54.97 54.70 3gtm s GLU 529 Cb -0.20 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.66 3gtm s GLU 529 CO 0.59 0.53 0.00 0.41 0.02 0.00 0.00 175.26 176.81 3gtm n GLY 530 N 0.91 -0.84 5.11 -1.39 0.00 -1.26 -4.63 105.19 103.08 3gtm n GLY 530 Ca -0.14 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3gtm n GLY 530 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gtm n GLN 531 N -1.84 0.00 -3.39 1.61 6.02 -1.26 -2.16 117.38 116.36 3gtm n GLN 531 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.73 3gtm n GLN 531 Cb 0.02 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.18 3gtm n GLN 531 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gtm s ALA 532 N -0.65 0.83 -0.20 -1.58 0.00 -1.26 -5.13 121.76 113.76 3gtm s ALA 532 Ca 0.00 -1.94 -0.06 0.00 0.00 0.00 0.00 51.96 49.96 3gtm s ALA 532 Cb 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 3gtm s ALA 532 CO 0.00 -2.06 0.03 0.00 0.00 0.00 0.00 175.76 173.72 3gtm n GLY 534 N 4.20 0.93 0.10 0.00 0.00 -1.26 -4.83 105.19 104.33 3gtm n GLY 534 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 3gtm n GLY 534 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gtm h LEU 535 N 0.00 0.18 -9.50 0.99 3.38 -1.88 -3.41 115.31 105.07 3gtm h LEU 535 Ca 0.00 -0.35 -0.59 0.00 0.09 0.00 0.00 57.88 57.03 3gtm h LEU 535 Cb 0.00 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 3gtm h LEU 535 CO 0.00 1.31 -0.17 -0.69 0.09 0.00 0.00 178.44 178.98 3gtm s VAL 536 N -2.60 5.09 0.26 1.22 1.01 -1.26 -2.52 120.40 121.60 3gtm s VAL 536 Ca -0.10 0.90 0.02 0.00 0.00 0.00 0.00 61.98 62.80 3gtm s VAL 536 Cb 0.07 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 3gtm s VAL 536 CO 0.82 0.46 0.21 -0.54 0.00 0.00 0.00 175.10 176.04 3gtm s LYS 537 N -0.25 1.45 -0.03 2.72 1.02 -0.89 -4.62 119.74 119.14 3gtm s LYS 537 Ca 0.24 -1.77 0.01 0.00 0.02 0.00 0.00 55.97 54.47 3gtm s LYS 537 Cb -0.16 0.30 0.02 0.00 -0.52 0.00 0.00 37.83 37.48 3gtm s LYS 537 CO 0.12 -0.51 -0.03 -0.80 -0.92 0.00 0.00 175.35 173.21 3gtm s ASN 538 N -3.24 0.69 0.56 2.83 0.01 -1.26 -0.21 114.94 114.32 3gtm s ASN 538 Ca 0.39 -0.09 -0.21 0.00 -0.71 0.00 0.00 52.86 52.25 3gtm s ASN 538 Cb 0.05 -0.32 -0.04 0.00 0.41 0.00 0.00 41.25 41.34 3gtm s ASN 538 CO 0.18 -0.06 1.29 -0.76 -1.51 0.00 0.00 177.10 176.25 3gtm s LEU 539 N 0.84 3.78 -1.46 0.60 1.43 -1.12 -0.37 118.68 122.37 3gtm s LEU 539 Ca -0.10 2.61 -0.09 0.00 -1.03 0.00 0.00 54.13 55.51 3gtm s LEU 539 Cb -0.13 -4.40 0.03 0.00 0.03 0.00 0.00 46.19 41.72 3gtm s LEU 539 CO -0.00 -1.58 2.53 -1.20 0.23 0.00 0.00 176.35 176.32 3gtm n SER 540 N -1.24 7.25 0.00 2.29 7.64 0.11 -4.46 113.62 125.22 3gtm n SER 540 Ca 0.12 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 57.14 3gtm n SER 540 Cb 0.47 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 3gtm n SER 540 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3gtm n LEU 541 N 3.49 0.00 -0.35 -3.43 4.77 -1.25 -2.21 117.00 118.03 3gtm n LEU 541 Ca 0.64 0.00 0.25 0.00 -0.03 0.00 0.00 56.01 56.88 3gtm n LEU 541 Cb 0.28 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.90 3gtm n LEU 541 CO 0.81 0.00 1.21 -0.03 -1.33 0.00 0.00 177.39 178.05 3gtm h MET 542 N 0.00 0.32 -6.95 3.23 4.05 -1.88 -3.40 114.93 110.30 3gtm h MET 542 Ca 0.00 -0.02 -0.52 0.00 -0.28 0.00 0.00 59.70 58.88 3gtm h MET 542 Cb 0.00 -0.07 0.08 0.00 -0.80 0.00 0.00 31.60 30.81 3gtm h MET 542 CO 0.00 0.21 0.61 -1.54 0.23 0.00 0.00 176.91 176.42 3gtm s SER 543 N -5.09 6.32 0.44 1.39 1.04 -0.94 -4.52 113.70 112.35 3gtm s SER 543 Ca -0.09 2.64 0.03 0.00 0.48 0.00 0.00 55.95 59.01 3gtm s SER 543 Cb 0.26 -2.64 -0.02 0.00 0.10 0.00 0.00 66.02 63.73 3gtm s SER 543 CO 0.80 -0.84 0.08 0.00 0.98 0.00 0.00 173.24 174.26 3gtm s ILE 545 N -3.09 1.96 1.32 0.00 1.01 -1.26 -0.16 121.20 120.98 3gtm s ILE 545 Ca 0.18 -1.03 -0.18 0.00 0.00 0.00 0.00 60.65 59.63 3gtm s ILE 545 Cb 0.03 -1.65 0.34 0.00 0.01 0.00 0.00 42.46 41.18 3gtm s ILE 545 CO 0.11 0.55 0.96 -0.94 0.00 0.00 0.00 174.94 175.62 3gtm s SER 546 N -0.24 -0.33 0.00 3.58 1.04 0.14 -4.93 113.70 112.96 3gtm s SER 546 Ca -0.00 1.24 0.00 0.00 0.48 0.00 0.00 55.95 57.66 3gtm s SER 546 Cb -0.12 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 64.13 3gtm s SER 546 CO 0.02 -4.96 0.00 0.55 0.98 0.00 0.00 173.24 169.83 3gtm n VAL 547 N -5.40 0.00 0.00 5.02 3.14 -1.26 -4.01 118.33 115.81 3gtm n VAL 547 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 3gtm n VAL 547 Cb 0.57 -0.07 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 3gtm n VAL 547 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gtm n GLY 548 N 0.94 1.78 0.50 7.55 0.00 -1.26 -4.67 105.19 110.04 3gtm n GLY 548 Ca 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 46.02 45.08 3gtm n GLY 548 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gtm n THR 549 N 1.00 0.00 -4.13 2.61 -1.04 -1.24 -5.02 114.28 106.45 3gtm n THR 549 Ca 0.00 -0.15 -0.34 0.00 -2.04 0.00 0.00 64.05 61.51 3gtm n THR 549 Cb 0.00 -1.73 -0.11 0.00 -1.82 0.00 0.00 70.33 66.67 3gtm n THR 549 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3gtm s ASP 550 N -1.59 5.15 0.35 8.00 -1.08 -1.26 -4.96 116.67 121.27 3gtm s ASP 550 Ca 0.09 -0.07 0.05 0.00 -0.52 0.00 0.00 52.55 52.10 3gtm s ASP 550 Cb -0.00 -1.87 0.71 0.00 -1.46 0.00 0.00 42.92 40.29 3gtm s ASP 550 CO 0.06 0.13 1.95 -0.65 0.52 0.00 0.00 175.17 177.18 3gtm h PRO 551 N 7.00 0.77 -0.05 4.34 0.11 -1.98 -3.31 132.00 138.88 3gtm h PRO 551 Ca -0.35 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.75 3gtm h PRO 551 Cb 1.18 -0.17 -0.06 0.00 0.11 0.00 0.00 31.00 32.06 3gtm h PRO 551 CO 0.65 0.51 -0.38 0.52 -0.21 0.00 0.00 178.00 179.09 3gtm h MET 552 N 0.80 -0.48 -1.26 1.05 2.86 -1.98 -0.90 114.93 115.01 3gtm h MET 552 Ca 0.33 0.03 0.37 0.00 -2.06 0.00 0.00 59.70 58.37 3gtm h MET 552 Cb 0.28 0.11 -0.08 0.00 0.06 0.00 0.00 31.60 31.96 3gtm h MET 552 CO -0.12 -0.32 0.86 -1.35 1.06 0.00 0.00 176.91 177.04 3gtm h PRO 553 N -0.50 0.14 0.15 -0.22 0.11 -2.00 0.63 132.00 130.32 3gtm h PRO 553 Ca 0.07 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.85 3gtm h PRO 553 Cb 0.61 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.69 3gtm h PRO 553 CO -0.33 0.09 -1.53 0.82 -0.21 0.00 0.00 178.00 176.84 3gtm h ILE 554 N 0.14 1.18 -0.42 4.15 2.04 -1.42 -2.47 117.51 120.71 3gtm h ILE 554 Ca 0.68 -2.76 -0.10 0.00 1.00 0.00 0.00 64.86 63.67 3gtm h ILE 554 Cb 2.28 2.83 -0.02 0.00 -0.74 0.00 0.00 36.82 41.17 3gtm h ILE 554 CO -0.19 0.84 -0.14 0.40 0.00 0.00 0.00 178.15 179.05 3gtm h ILE 555 N 0.09 1.26 -0.01 -0.67 2.04 0.16 0.08 117.51 120.46 3gtm h ILE 555 Ca -0.25 -1.21 0.01 0.00 1.00 0.00 0.00 64.86 64.41 3gtm h ILE 555 Cb 2.05 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 3gtm h ILE 555 CO 0.19 0.41 -0.02 0.74 0.00 0.00 0.00 178.15 179.47 3gtm h THR 556 N 0.69 0.94 -0.50 -0.27 2.02 0.11 -2.89 112.91 113.02 3gtm h THR 556 Ca 0.11 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.30 3gtm h THR 556 Cb 0.62 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3gtm h THR 556 CO 0.04 0.00 0.32 0.15 0.37 0.00 0.00 175.52 176.40 3gtm h PHE 557 N -0.03 0.61 -0.57 3.16 3.57 -1.20 -2.99 116.94 119.47 3gtm h PHE 557 Ca 0.01 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.63 3gtm h PHE 557 Cb 0.05 -0.20 -0.08 0.00 2.79 0.00 0.00 35.95 38.51 3gtm h PHE 557 CO -0.10 0.37 0.14 -0.07 -2.23 0.00 0.00 178.31 176.41 3gtm h LEU 558 N 0.65 0.04 -1.14 0.59 3.38 -0.79 0.04 115.31 118.08 3gtm h LEU 558 Ca 0.19 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 3gtm h LEU 558 Cb -0.05 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3gtm h LEU 558 CO -0.06 0.03 -0.23 0.77 0.09 0.00 0.00 178.44 179.05 3gtm h SER 559 N 0.28 0.31 0.06 -0.43 4.64 -1.43 -1.97 113.55 115.01 3gtm h SER 559 Ca 0.30 -0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.41 3gtm h SER 559 Cb 0.42 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3gtm h SER 559 CO -0.37 0.55 -0.38 -0.33 -0.87 0.00 0.00 176.83 175.44 3gtm h GLU 560 N 0.29 0.43 -0.68 4.77 5.08 -0.90 -3.30 114.58 120.26 3gtm h GLU 560 Ca 0.05 -0.20 -0.43 0.00 -1.00 0.00 0.00 59.36 57.77 3gtm h GLU 560 Cb 0.57 -0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.56 3gtm h GLU 560 CO 0.04 0.74 0.07 0.91 -1.00 0.00 0.00 179.01 179.77 3gtm n TRP 561 N -4.04 2.25 0.00 4.33 7.02 -0.47 -4.91 117.44 121.62 3gtm n TRP 561 Ca -0.01 -2.14 0.00 0.00 -1.02 0.00 0.00 57.50 54.33 3gtm n TRP 561 Cb 0.48 -0.75 0.00 0.00 -2.42 0.00 0.00 31.31 28.62 3gtm n TRP 561 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3gtm n GLY 562 N -0.98 1.24 3.71 6.99 0.00 -1.17 -4.87 105.19 110.11 3gtm n GLY 562 Ca 0.46 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.09 3gtm n GLY 562 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gtm s MET 563 N -0.14 4.37 0.04 1.61 0.00 -0.76 -4.32 119.30 120.11 3gtm s MET 563 Ca 0.00 0.73 -0.18 0.00 0.00 0.00 0.00 55.69 56.23 3gtm s MET 563 Cb 0.00 -3.47 -0.06 0.00 0.00 0.00 0.00 34.83 31.30 3gtm s MET 563 CO 0.00 0.04 0.53 -1.21 0.00 0.00 0.00 175.02 174.38 3gtm s GLU 564 N 0.95 4.17 0.90 4.11 2.02 -0.08 -4.59 118.70 126.18 3gtm s GLU 564 Ca 0.33 0.66 -0.11 0.00 0.02 0.00 0.00 54.97 55.87 3gtm s GLU 564 Cb -0.17 -3.26 0.14 0.00 0.10 0.00 0.00 34.13 30.94 3gtm s GLU 564 CO 0.15 0.59 1.10 -1.25 0.02 0.00 0.00 175.26 175.87 3gtm s PRO 565 N -0.88 1.15 0.45 0.39 0.04 -1.26 -1.99 135.00 132.90 3gtm s PRO 565 Ca 0.28 1.21 0.30 0.00 0.04 0.00 0.00 61.00 62.83 3gtm s PRO 565 Cb -0.19 -1.77 1.26 0.00 0.04 0.00 0.00 34.50 33.84 3gtm s PRO 565 CO 0.17 -2.43 1.90 1.25 0.04 0.00 0.00 177.00 177.93 3gtm h LEU 566 N -1.70 0.00 -0.36 -3.56 5.85 -1.91 -3.09 115.31 110.53 3gtm h LEU 566 Ca -0.47 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.11 3gtm h LEU 566 Cb 1.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3gtm h LEU 566 CO 0.48 0.00 -0.31 -0.33 -0.34 0.00 0.00 178.44 177.94 3gtm h GLU 567 N 0.00 0.85 -1.86 1.25 4.39 -1.91 -3.29 114.58 114.01 3gtm h GLU 567 Ca 0.00 -0.43 -0.69 0.00 0.34 0.00 0.00 59.36 58.58 3gtm h GLU 567 Cb 0.45 0.01 -0.34 0.00 -0.10 0.00 0.00 28.75 28.77 3gtm h GLU 567 CO 0.00 1.07 0.28 -0.25 -1.16 0.00 0.00 179.01 178.95 3gtm n ASP 568 N -4.16 6.26 -4.59 1.42 8.00 -1.17 -4.97 116.55 117.34 3gtm n ASP 568 Ca -0.02 -3.77 -0.39 0.00 0.71 0.00 0.00 54.79 51.31 3gtm n ASP 568 Cb 0.50 -0.81 -0.09 0.00 -0.02 0.00 0.00 41.12 40.69 3gtm n ASP 568 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3gtm s TYR 569 N -3.86 3.24 -0.84 1.24 5.04 -1.24 -4.87 117.35 116.06 3gtm s TYR 569 Ca 0.49 0.30 -0.14 0.00 -2.44 0.00 0.00 57.07 55.28 3gtm s TYR 569 Cb 0.39 -2.56 0.22 0.00 0.35 0.00 0.00 41.96 40.37 3gtm s TYR 569 CO -0.29 -0.25 0.78 0.14 -1.34 0.00 0.00 175.55 174.59 3gtm s VAL 570 N 2.01 5.63 0.50 3.14 -7.23 -1.26 -4.96 120.40 118.23 3gtm s VAL 570 Ca 0.13 -2.50 0.26 0.00 -1.81 0.00 0.00 61.98 58.06 3gtm s VAL 570 Cb -0.16 -4.47 0.43 0.00 0.56 0.00 0.00 36.38 32.74 3gtm s VAL 570 CO 0.10 -1.03 1.91 1.55 -0.31 0.00 0.00 175.10 177.32 3gtm h PRO 571 N 7.75 0.12 -0.02 4.82 0.13 -1.93 0.33 132.00 143.21 3gtm h PRO 571 Ca 0.11 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3gtm h PRO 571 Cb 1.04 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3gtm h PRO 571 CO 0.76 0.08 -0.27 -2.39 -0.23 0.00 0.00 178.00 175.95 3gtm n HIS 572 N -4.37 0.00 -1.31 1.56 1.44 -1.26 -4.27 115.22 107.01 3gtm n HIS 572 Ca 0.16 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.65 3gtm n HIS 572 Cb 0.79 0.00 0.16 0.00 0.12 0.00 0.00 29.99 31.06 3gtm n HIS 572 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 3gtm n GLN 573 N 0.35 2.28 -3.08 -1.40 7.27 0.12 -4.74 117.38 118.17 3gtm n GLN 573 Ca 0.09 -3.12 0.03 0.00 0.07 0.00 0.00 57.00 54.07 3gtm n GLN 573 Cb 0.44 -2.13 -0.00 0.00 2.41 0.00 0.00 30.24 30.96 3gtm n GLN 573 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3gtm s SER 574 N -1.69 -1.00 -0.11 1.69 0.01 -1.22 -4.92 113.70 106.46 3gtm s SER 574 Ca 0.56 -0.18 -0.19 0.00 1.31 0.00 0.00 55.95 57.45 3gtm s SER 574 Cb 0.47 1.45 -0.16 0.00 0.21 0.00 0.00 66.02 67.99 3gtm s SER 574 CO 0.07 -0.15 0.57 -0.65 0.41 0.00 0.00 173.24 173.49 3gtm h PRO 575 N 6.95 -0.04 -0.96 12.44 0.11 -1.87 -3.31 132.00 145.33 3gtm h PRO 575 Ca -0.02 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 3gtm h PRO 575 Cb 1.19 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3gtm h PRO 575 CO 0.02 0.55 0.04 -0.25 -0.21 0.00 0.00 178.00 178.16 3gtm n ASP 576 N -4.72 2.29 -4.66 -2.05 8.00 -1.26 -4.88 116.55 109.27 3gtm n ASP 576 Ca -0.07 -2.20 -0.43 0.00 0.71 0.00 0.00 54.79 52.81 3gtm n ASP 576 Cb 0.29 -0.54 -0.02 0.00 -0.02 0.00 0.00 41.12 40.83 3gtm n ASP 576 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gtm s ALA 577 N -1.02 3.65 -0.24 2.24 0.00 -1.25 -4.75 121.76 120.39 3gtm s ALA 577 Ca 0.09 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 3gtm s ALA 577 Cb 0.07 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 3gtm s ALA 577 CO 0.02 -1.18 0.17 0.99 0.00 0.00 0.00 175.76 175.76 3gtm s THR 578 N 3.48 5.35 0.54 0.00 2.01 0.87 -4.90 115.64 123.00 3gtm s THR 578 Ca 0.52 0.21 -0.16 0.00 0.31 0.00 0.00 61.69 62.57 3gtm s THR 578 Cb -0.20 -3.51 -0.07 0.00 0.01 0.00 0.00 72.50 68.74 3gtm s THR 578 CO 0.13 0.34 1.00 0.00 -0.69 0.00 0.00 174.62 175.41 3gtm s ARG 579 N 1.05 3.78 -0.14 4.92 1.70 -0.72 0.34 118.95 129.88 3gtm s ARG 579 Ca 0.08 0.99 -0.01 0.00 -0.47 0.00 0.00 55.73 56.32 3gtm s ARG 579 Cb -0.13 -2.11 0.03 0.00 -0.57 0.00 0.00 34.95 32.17 3gtm s ARG 579 CO 0.04 -0.42 -0.05 0.08 -1.08 0.00 0.00 175.30 173.88 3gtm s VAL 580 N -2.64 1.00 0.06 4.99 1.01 0.77 -1.34 120.40 124.24 3gtm s VAL 580 Ca 0.59 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3gtm s VAL 580 Cb -0.11 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 3gtm s VAL 580 CO 0.35 0.21 0.20 -0.36 0.00 0.00 0.00 175.10 175.50 3gtm s PHE 581 N 1.70 3.49 -0.23 5.22 0.40 -0.29 -2.64 117.98 125.63 3gtm s PHE 581 Ca 0.03 0.24 -0.04 0.00 -0.60 0.00 0.00 56.93 56.55 3gtm s PHE 581 Cb -0.14 -1.75 0.09 0.00 0.51 0.00 0.00 43.02 41.73 3gtm s PHE 581 CO -0.08 0.58 0.15 0.08 0.70 0.00 0.00 175.22 176.66 3gtm s VAL 582 N -1.50 -0.16 -0.85 -0.44 1.01 -0.69 -1.20 120.40 116.56 3gtm s VAL 582 Ca 0.35 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 3gtm s VAL 582 Cb -0.13 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.48 3gtm s VAL 582 CO 0.28 -0.43 0.31 0.59 0.00 0.00 0.00 175.10 175.85 3gtm n ASN 583 N 5.28 -4.01 0.00 3.32 3.02 0.18 -3.10 115.26 119.95 3gtm n ASN 583 Ca -0.06 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 3gtm n ASN 583 Cb 0.47 -2.92 0.00 0.00 -0.61 0.00 0.00 39.78 36.72 3gtm n ASN 583 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gtm n GLY 584 N -1.16 0.49 3.86 7.41 0.00 -1.26 -4.93 105.19 109.60 3gtm n GLY 584 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 3gtm n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtm s VAL 585 N -2.30 5.41 -0.39 1.61 1.01 -1.18 -4.84 120.40 119.71 3gtm s VAL 585 Ca 0.00 0.34 -0.23 0.00 0.00 0.00 0.00 61.98 62.08 3gtm s VAL 585 Cb 0.00 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.93 3gtm s VAL 585 CO 0.00 0.60 0.79 0.86 0.00 0.00 0.00 175.10 177.35 3gtm s TRP 586 N -0.95 3.07 -0.78 5.22 -0.00 -1.26 -1.71 118.94 122.53 3gtm s TRP 586 Ca 0.16 0.43 0.17 0.00 -0.00 0.00 0.00 56.10 56.86 3gtm s TRP 586 Cb -0.13 -3.51 -0.18 0.00 -0.00 0.00 0.00 33.47 29.65 3gtm s TRP 586 CO 0.06 -0.83 0.71 0.72 -0.00 0.00 0.00 176.95 177.60 3gtm n HIS 587 N 6.55 0.00 -0.23 5.86 8.25 -1.08 -4.91 115.22 129.66 3gtm n HIS 587 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3gtm n HIS 587 Cb 0.48 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 3gtm n HIS 587 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gtm n GLY 588 N 1.39 0.87 3.42 -1.41 0.00 -1.23 -3.42 105.19 104.82 3gtm n GLY 588 Ca 0.03 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.90 3gtm n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtm s VAL 589 N -2.39 2.44 0.18 1.61 1.01 -0.84 -0.16 120.40 122.25 3gtm s VAL 589 Ca 0.00 -1.70 0.08 0.00 0.00 0.00 0.00 61.98 60.36 3gtm s VAL 589 Cb 0.00 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 3gtm s VAL 589 CO 0.00 0.08 -0.16 -2.28 0.00 0.00 0.00 175.10 172.73 3gtm s HIS 590 N -1.13 1.76 -0.07 5.22 2.46 0.15 -0.90 115.29 122.79 3gtm s HIS 590 Ca 0.16 -0.51 -0.05 0.00 0.47 0.00 0.00 55.06 55.13 3gtm s HIS 590 Cb -0.10 -0.85 -0.02 0.00 -0.13 0.00 0.00 32.58 31.48 3gtm s HIS 590 CO 0.07 0.34 -0.09 0.54 -2.47 0.00 0.00 174.74 173.14 3gtm n ARG 591 N 0.02 0.21 -3.67 2.88 1.74 -1.26 -0.09 116.66 116.49 3gtm n ARG 591 Ca -0.11 0.36 -0.38 0.00 -0.77 0.00 0.00 57.85 56.95 3gtm n ARG 591 Cb 0.58 -1.17 -0.09 0.00 -1.02 0.00 0.00 32.46 30.77 3gtm n ARG 591 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3gtm s ASN 592 N -4.57 5.42 0.19 0.55 3.04 -1.26 -4.47 114.94 113.84 3gtm s ASN 592 Ca -0.07 -2.84 -0.01 0.00 0.04 0.00 0.00 52.86 49.97 3gtm s ASN 592 Cb 0.01 -1.90 0.11 0.00 -1.54 0.00 0.00 41.25 37.93 3gtm s ASN 592 CO 0.11 -0.39 1.48 1.55 -3.04 0.00 0.00 177.10 176.81 3gtm h PRO 593 N 7.11 0.45 -1.01 0.43 0.13 -1.92 -3.26 132.00 133.93 3gtm h PRO 593 Ca -0.00 -0.32 0.29 0.00 -0.87 0.00 0.00 66.00 65.10 3gtm h PRO 593 Cb 0.96 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.10 3gtm h PRO 593 CO 0.72 0.94 0.81 0.00 -0.23 0.00 0.00 178.00 180.24 3gtm h ALA 594 N 0.98 2.90 0.11 -0.56 0.00 -2.00 0.22 119.26 120.91 3gtm h ALA 594 Ca -0.01 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.57 3gtm h ALA 594 Cb 1.19 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3gtm h ALA 594 CO 0.11 -1.33 -1.53 0.00 0.00 0.00 0.00 179.25 176.50 3gtm h ARG 595 N 0.00 0.23 -0.11 0.00 3.08 -2.01 -3.29 114.38 112.29 3gtm h ARG 595 Ca 0.48 -0.39 0.03 0.00 0.07 0.00 0.00 59.98 60.17 3gtm h ARG 595 Cb 2.09 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 32.29 3gtm h ARG 595 CO -0.01 1.19 0.11 1.25 -1.07 0.00 0.00 179.97 181.44 3gtm h LEU 596 N -0.28 0.00 0.14 3.04 5.85 -0.94 -1.38 115.31 121.73 3gtm h LEU 596 Ca -0.33 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 3gtm h LEU 596 Cb 1.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.82 3gtm h LEU 596 CO 0.04 0.00 -0.07 -0.03 -0.34 0.00 0.00 178.44 178.04 3gtm h MET 597 N 0.00 -0.18 -0.03 1.25 4.05 -0.80 -0.65 114.93 118.57 3gtm h MET 597 Ca 0.05 0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.36 3gtm h MET 597 Cb 0.26 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 3gtm h MET 597 CO -0.00 0.22 -0.56 1.49 0.23 0.00 0.00 176.91 178.30 3gtm h GLU 598 N -0.65 0.09 -0.46 0.39 4.81 -1.53 0.61 114.58 117.84 3gtm h GLU 598 Ca -0.02 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 3gtm h GLU 598 Cb 0.49 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3gtm h GLU 598 CO 0.03 0.62 0.07 1.15 -0.73 0.00 0.00 179.01 180.15 3gtm h THR 599 N 0.07 1.22 0.00 0.32 2.02 -1.30 -0.82 112.91 114.41 3gtm h THR 599 Ca -0.00 -0.83 -0.17 0.00 0.77 0.00 0.00 66.41 66.18 3gtm h THR 599 Cb 1.00 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 3gtm h THR 599 CO 0.08 0.30 -0.79 -0.07 0.37 0.00 0.00 175.52 175.41 3gtm h LEU 600 N 0.69 0.00 0.14 2.58 3.38 -0.02 -3.01 115.31 119.07 3gtm h LEU 600 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3gtm h LEU 600 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3gtm h LEU 600 CO 0.01 0.79 -0.07 0.03 0.09 0.00 0.00 178.44 179.29 3gtm h ARG 601 N 0.00 -0.18 0.00 1.13 3.08 0.54 -2.50 114.38 116.44 3gtm h ARG 601 Ca -0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gtm h ARG 601 Cb 1.48 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.58 3gtm h ARG 601 CO 0.10 -0.12 0.09 2.41 -1.07 0.00 0.00 179.97 181.38 3gtm n THR 602 N -3.37 1.20 0.05 2.04 -1.04 -0.35 -0.77 114.28 112.04 3gtm n THR 602 Ca -0.02 0.65 -0.21 0.00 -2.04 0.00 0.00 64.05 62.42 3gtm n THR 602 Cb 0.07 -1.65 -0.15 0.00 -1.82 0.00 0.00 70.33 66.79 3gtm n THR 602 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3gtm h LEU 603 N 0.00 0.50 -0.99 -4.42 7.12 -1.54 -2.62 115.31 113.35 3gtm h LEU 603 Ca 0.00 -0.91 -0.11 0.00 0.13 0.00 0.00 57.88 56.99 3gtm h LEU 603 Cb 0.19 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.14 3gtm h LEU 603 CO 0.00 1.54 -0.50 -0.09 -0.13 0.00 0.00 178.44 179.26 3gtm h ARG 604 N -0.25 0.01 0.00 1.25 2.43 -0.48 -2.91 114.38 114.43 3gtm h ARG 604 Ca -0.23 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.86 3gtm h ARG 604 Cb 1.79 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.32 3gtm h ARG 604 CO 0.14 0.51 -0.38 0.00 -1.51 0.00 0.00 179.97 178.73 3gtm h ARG 605 N 0.01 0.00 0.00 0.20 3.08 -1.03 -2.75 114.38 113.89 3gtm h ARG 605 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gtm h ARG 605 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 3gtm h ARG 605 CO 0.07 0.38 -0.10 1.17 -1.07 0.00 0.00 179.97 180.41 3gtm n LYS 606 N -3.26 0.27 0.00 0.04 4.81 -0.99 -3.17 118.16 115.86 3gtm n LYS 606 Ca 0.02 0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 3gtm n LYS 606 Cb 0.64 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.90 3gtm n LYS 606 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gtm n GLY 607 N 1.31 0.61 0.17 3.14 0.00 -1.04 -4.87 105.19 104.52 3gtm n GLY 607 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 3gtm n GLY 607 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gtm h ASP 608 N 0.00 0.53 -3.33 1.61 3.32 -1.72 -3.42 116.42 113.41 3gtm h ASP 608 Ca 0.00 -0.45 -0.46 0.00 0.02 0.00 0.00 57.03 56.14 3gtm h ASP 608 Cb 0.00 -0.15 0.06 0.00 0.22 0.00 0.00 39.33 39.46 3gtm h ASP 608 CO 0.00 0.87 0.11 -0.63 -1.72 0.00 0.00 179.24 177.88 3gtm s ILE 609 N -4.42 3.03 0.04 0.35 1.01 -1.19 -5.03 121.20 114.99 3gtm s ILE 609 Ca -0.13 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 3gtm s ILE 609 Cb 0.07 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.28 3gtm s ILE 609 CO 0.78 -0.20 1.22 0.21 0.00 0.00 0.00 174.94 176.96 3gtm s ASN 610 N -4.39 7.05 0.00 3.58 3.84 -1.26 -4.78 114.94 118.97 3gtm s ASN 610 Ca 0.56 2.00 0.07 0.00 0.21 0.00 0.00 52.86 55.70 3gtm s ASN 610 Cb -0.10 -2.57 0.39 0.00 -0.55 0.00 0.00 41.25 38.41 3gtm s ASN 610 CO 0.43 -0.51 0.87 -2.65 -2.79 0.00 0.00 177.10 172.44 3gtm n PRO 611 N 4.23 0.20 0.00 0.43 -0.02 -1.26 -1.39 135.00 137.20 3gtm n PRO 611 Ca 0.10 0.01 0.12 0.00 -2.02 0.00 0.00 63.50 61.70 3gtm n PRO 611 Cb 0.46 -1.50 0.18 0.00 -0.02 0.00 0.00 33.50 32.62 3gtm n PRO 611 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3gtm n GLU 612 N -1.01 0.02 -2.63 -0.52 2.13 -1.26 -4.46 120.64 112.92 3gtm n GLU 612 Ca 0.05 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.45 3gtm n GLU 612 Cb 0.02 -1.51 -0.02 0.00 0.27 0.00 0.00 31.44 30.20 3gtm n GLU 612 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3gtm s VAL 613 N -3.02 4.64 -0.18 6.31 1.01 -0.48 -4.94 120.40 123.74 3gtm s VAL 613 Ca 0.10 1.94 -0.09 0.00 0.00 0.00 0.00 61.98 63.93 3gtm s VAL 613 Cb 0.17 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 3gtm s VAL 613 CO 0.73 -0.08 0.11 -0.94 0.00 0.00 0.00 175.10 174.93 3gtm s SER 614 N 1.26 6.06 -0.06 3.32 1.04 -0.85 -4.98 113.70 119.49 3gtm s SER 614 Ca 0.48 0.22 0.01 0.00 0.48 0.00 0.00 55.95 57.14 3gtm s SER 614 Cb -0.18 -2.04 0.02 0.00 0.10 0.00 0.00 66.02 63.92 3gtm s SER 614 CO 0.14 0.21 -0.05 -0.04 0.98 0.00 0.00 173.24 174.48 3gtm s MET 615 N 0.14 1.02 -0.10 4.02 -1.94 -1.26 -0.54 119.30 120.64 3gtm s MET 615 Ca 0.08 -0.13 0.02 0.00 -1.71 0.00 0.00 55.69 53.94 3gtm s MET 615 Cb -0.11 -1.05 0.01 0.00 2.01 0.00 0.00 34.83 35.69 3gtm s MET 615 CO -0.01 -0.13 -0.16 0.42 -0.01 0.00 0.00 175.02 175.13 3gtm s ILE 616 N 1.17 1.54 -0.42 2.53 1.09 0.24 -4.89 121.20 122.47 3gtm s ILE 616 Ca -0.07 -0.68 -0.15 0.00 -1.10 0.00 0.00 60.65 58.65 3gtm s ILE 616 Cb -0.14 -1.40 0.03 0.00 -1.06 0.00 0.00 42.46 39.90 3gtm s ILE 616 CO -0.01 0.45 0.32 -0.60 -0.10 0.00 0.00 174.94 174.99 3gtm s ARG 617 N 0.85 2.97 -0.80 2.79 3.52 -1.26 -1.17 118.95 125.84 3gtm s ARG 617 Ca -0.09 -1.08 -0.23 0.00 -0.13 0.00 0.00 55.73 54.19 3gtm s ARG 617 Cb -0.15 -4.00 0.07 0.00 -1.56 0.00 0.00 34.95 29.30 3gtm s ARG 617 CO 0.01 -0.80 1.17 0.34 -0.81 0.00 0.00 175.30 175.20 3gtm s ASP 618 N 1.85 6.33 0.06 -2.12 -1.08 0.26 -4.91 116.67 117.06 3gtm s ASP 618 Ca 0.05 -1.17 -0.24 0.00 -0.52 0.00 0.00 52.55 50.67 3gtm s ASP 618 Cb -0.20 -2.48 -0.16 0.00 -1.46 0.00 0.00 42.92 38.62 3gtm s ASP 618 CO 0.09 -1.47 1.62 0.40 0.52 0.00 0.00 175.17 176.33 3gtm h ILE 619 N 6.12 1.09 -0.39 4.11 2.04 -1.96 -1.82 117.51 126.70 3gtm h ILE 619 Ca -0.10 -0.29 -0.15 0.00 1.00 0.00 0.00 64.86 65.32 3gtm h ILE 619 Cb 1.04 1.28 -0.09 0.00 -0.74 0.00 0.00 36.82 38.32 3gtm h ILE 619 CO 1.24 0.08 0.19 0.54 0.00 0.00 0.00 178.15 180.19 3gtm n ARG 620 N -5.04 2.10 0.00 2.37 1.74 -1.26 -2.79 116.66 113.79 3gtm n ARG 620 Ca -0.07 -1.46 0.00 0.00 -0.77 0.00 0.00 57.85 55.55 3gtm n ARG 620 Cb 0.09 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 3gtm n ARG 620 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3gtm n GLU 621 N -0.05 0.00 -3.74 5.56 4.07 -1.12 -5.03 120.64 120.33 3gtm n GLU 621 Ca 0.22 -0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 57.06 3gtm n GLU 621 Cb 0.92 -0.44 0.05 0.00 -0.06 0.00 0.00 31.44 31.91 3gtm n GLU 621 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3gtm n LYS 622 N -0.00 -6.23 -4.37 5.31 5.02 -0.74 -4.94 118.16 112.22 3gtm n LYS 622 Ca 0.00 0.69 -0.29 0.00 -2.02 0.00 0.00 58.31 56.69 3gtm n LYS 622 Cb 0.22 -5.58 -0.12 0.00 -0.02 0.00 0.00 35.03 29.52 3gtm n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gtm s GLU 623 N -6.31 1.51 -0.35 1.97 2.02 -0.85 -1.75 118.70 114.95 3gtm s GLU 623 Ca 0.46 -1.31 -0.00 0.00 0.02 0.00 0.00 54.97 54.14 3gtm s GLU 623 Cb -0.22 -1.96 0.12 0.00 0.10 0.00 0.00 34.13 32.17 3gtm s GLU 623 CO 0.79 0.46 0.16 -1.17 0.02 0.00 0.00 175.26 175.52 3gtm s LEU 624 N -2.10 1.79 -0.12 1.80 2.96 -0.45 -0.57 118.68 121.98 3gtm s LEU 624 Ca 0.15 -1.94 -0.26 0.00 -0.22 0.00 0.00 54.13 51.87 3gtm s LEU 624 Cb -0.10 -0.72 -0.02 0.00 0.50 0.00 0.00 46.19 45.85 3gtm s LEU 624 CO 0.07 -0.36 0.82 -0.54 -1.32 0.00 0.00 176.35 175.03 3gtm s LYS 625 N 1.27 4.37 -0.20 1.98 -0.14 -0.32 -1.14 119.74 125.57 3gtm s LYS 625 Ca 0.13 1.05 0.01 0.00 -1.36 0.00 0.00 55.97 55.80 3gtm s LYS 625 Cb -0.20 -3.53 0.02 0.00 -1.68 0.00 0.00 37.83 32.45 3gtm s LYS 625 CO -0.15 -0.20 -0.17 0.42 -0.76 0.00 0.00 175.35 174.49 3gtm s ILE 626 N 1.67 2.18 -0.16 2.17 1.01 -0.34 -0.59 121.20 127.14 3gtm s ILE 626 Ca 0.40 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 3gtm s ILE 626 Cb -0.17 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 3gtm s ILE 626 CO 0.16 0.45 -0.06 -0.36 0.00 0.00 0.00 174.94 175.13 3gtm s PHE 627 N 1.28 2.97 -0.03 3.97 2.99 0.30 -0.64 117.98 128.82 3gtm s PHE 627 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 56.93 56.52 3gtm s PHE 627 Cb -0.14 -1.95 0.01 0.00 0.00 0.00 0.00 43.02 40.94 3gtm s PHE 627 CO -0.11 -0.13 0.86 2.41 -0.00 0.00 0.00 175.22 178.25 3gtm n THR 628 N 3.67 0.71 -1.05 0.64 -1.04 -1.26 -2.00 114.28 113.94 3gtm n THR 628 Ca -0.18 -0.85 -0.36 0.00 -2.04 0.00 0.00 64.05 60.62 3gtm n THR 628 Cb 0.52 0.65 0.06 0.00 -1.82 0.00 0.00 70.33 69.75 3gtm n THR 628 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3gtm n ASP 629 N -0.33 -3.43 -4.24 8.00 -0.08 -1.26 -3.71 116.55 111.49 3gtm n ASP 629 Ca 0.00 0.39 -0.37 0.00 -1.51 0.00 0.00 54.79 53.30 3gtm n ASP 629 Cb 0.18 -1.01 -0.12 0.00 2.34 0.00 0.00 41.12 42.51 3gtm n ASP 629 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gtm s ALA 630 N -2.08 3.05 0.00 -1.67 0.00 -1.26 -4.27 121.76 115.53 3gtm s ALA 630 Ca 0.53 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 50.61 3gtm s ALA 630 Cb -0.28 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.56 3gtm s ALA 630 CO 0.70 -1.42 0.00 0.41 0.00 0.00 0.00 175.76 175.45 3gtm n GLY 631 N 4.78 -0.84 3.71 0.00 0.00 -1.26 -4.88 105.19 106.70 3gtm n GLY 631 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3gtm n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gtm s ARG 632 N 0.00 4.55 0.10 1.61 0.52 -1.26 -0.62 118.95 123.86 3gtm s ARG 632 Ca 0.00 1.41 -0.28 0.00 -0.52 0.00 0.00 55.73 56.35 3gtm s ARG 632 Cb 0.00 -3.46 -0.06 0.00 0.52 0.00 0.00 34.95 31.94 3gtm s ARG 632 CO 0.00 -0.06 0.87 0.08 0.02 0.00 0.00 175.30 176.21 3gtm s VAL 633 N 1.05 4.53 0.10 3.52 1.01 -1.26 0.25 120.40 129.60 3gtm s VAL 633 Ca 0.52 1.88 -0.05 0.00 0.00 0.00 0.00 61.98 64.33 3gtm s VAL 633 Cb -0.21 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 3gtm s VAL 633 CO 0.27 0.37 0.12 -0.72 0.00 0.00 0.00 175.10 175.15 3gtm s TYR 634 N -0.23 0.45 0.05 5.22 -0.85 0.77 -4.04 117.35 118.72 3gtm s TYR 634 Ca 0.42 -0.89 -0.03 0.00 -0.52 0.00 0.00 57.07 56.06 3gtm s TYR 634 Cb -0.23 -0.23 -0.03 0.00 0.38 0.00 0.00 41.96 41.85 3gtm s TYR 634 CO 0.27 -0.53 0.03 -0.98 -1.52 0.00 0.00 175.55 172.81 3gtm s ARG 635 N -3.94 0.61 0.17 -3.49 1.70 -0.59 0.59 118.95 114.01 3gtm s ARG 635 Ca 0.12 -1.04 -0.16 0.00 -0.47 0.00 0.00 55.73 54.18 3gtm s ARG 635 Cb 0.06 0.22 -0.07 0.00 -0.57 0.00 0.00 34.95 34.59 3gtm s ARG 635 CO -0.06 -0.13 0.61 -2.14 -1.08 0.00 0.00 175.30 172.50 3gtm s PRO 636 N -3.44 4.07 0.02 3.89 0.02 -1.26 -1.05 135.00 137.24 3gtm s PRO 636 Ca 0.02 0.62 -0.01 0.00 0.02 0.00 0.00 61.00 61.66 3gtm s PRO 636 Cb 0.04 -2.91 -0.02 0.00 0.02 0.00 0.00 34.50 31.64 3gtm s PRO 636 CO -0.08 0.44 -0.02 -0.51 -0.33 0.00 0.00 177.00 176.50 3gtm s LEU 637 N -1.98 2.23 0.30 -5.54 1.43 -0.61 -4.58 118.68 109.92 3gtm s LEU 637 Ca 0.40 -0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 52.66 3gtm s LEU 637 Cb -0.15 0.14 -0.10 0.00 0.03 0.00 0.00 46.19 46.11 3gtm s LEU 637 CO 0.20 -0.34 1.19 -0.36 0.23 0.00 0.00 176.35 177.27 3gtm s PHE 638 N -1.77 3.35 0.21 0.29 2.99 -0.15 -1.59 117.98 121.32 3gtm s PHE 638 Ca -0.13 1.57 -0.12 0.00 0.00 0.00 0.00 56.93 58.24 3gtm s PHE 638 Cb -0.08 -3.46 -0.07 0.00 0.00 0.00 0.00 43.02 39.41 3gtm s PHE 638 CO -0.02 -1.13 0.58 0.42 -0.00 0.00 0.00 175.22 175.07 3gtm s ILE 639 N -1.10 4.86 0.00 0.64 1.01 -0.01 -0.78 121.20 125.82 3gtm s ILE 639 Ca 0.47 0.69 0.00 0.00 0.00 0.00 0.00 60.65 61.81 3gtm s ILE 639 Cb -0.35 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.45 3gtm s ILE 639 CO 0.46 0.04 0.06 0.52 0.00 0.00 0.00 174.94 176.02 3gtm n VAL 640 N 0.21 0.00 -1.00 2.92 0.31 -0.91 -1.06 118.33 118.80 3gtm n VAL 640 Ca -0.01 -0.40 -0.40 0.00 -0.01 0.00 0.00 64.34 63.52 3gtm n VAL 640 Cb 0.52 1.03 -0.06 0.00 -0.91 0.00 0.00 33.84 34.42 3gtm n VAL 640 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3gtm n GLU 641 N -0.69 0.00 0.00 5.55 -0.58 -1.26 -3.29 120.64 120.37 3gtm n GLU 641 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3gtm n GLU 641 Cb 0.01 -0.89 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 3gtm n GLU 641 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3gtm n ASP 642 N 2.65 0.04 -0.12 1.62 5.75 -1.26 -4.55 116.55 120.68 3gtm n ASP 642 Ca 0.20 -0.56 0.00 0.00 -0.01 0.00 0.00 54.79 54.42 3gtm n ASP 642 Cb -0.03 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 3gtm n ASP 642 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3gtm n ASP 643 N -0.38 0.03 -4.68 -1.12 8.00 -1.26 -4.49 116.55 112.66 3gtm n ASP 643 Ca 0.00 -0.29 -0.48 0.00 0.71 0.00 0.00 54.79 54.73 3gtm n ASP 643 Cb 0.01 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 3gtm n ASP 643 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gtm n GLU 644 N -0.28 2.18 0.15 -1.24 1.02 -1.26 -4.86 120.64 116.35 3gtm n GLU 644 Ca 0.00 0.80 0.04 0.00 -0.02 0.00 0.00 57.16 57.98 3gtm n GLU 644 Cb 0.01 -2.64 0.05 0.00 -0.02 0.00 0.00 31.44 28.84 3gtm n GLU 644 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3gtm h SER 645 N 8.88 0.00 -0.38 1.62 4.64 -1.93 -3.30 113.55 123.08 3gtm h SER 645 Ca -0.48 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.56 3gtm h SER 645 Cb 1.27 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.13 3gtm h SER 645 CO 0.94 0.42 -0.68 0.18 -0.87 0.00 0.00 176.83 176.81 3gtm n LEU 646 N -3.20 3.74 0.00 5.97 4.77 -1.26 -5.02 117.00 121.99 3gtm n LEU 646 Ca 0.02 -4.26 0.00 0.00 -0.03 0.00 0.00 56.01 51.74 3gtm n LEU 646 Cb 0.70 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3gtm n LEU 646 CO 0.39 1.73 0.00 0.61 -1.33 0.00 0.00 177.39 178.79 3gtm n GLY 647 N -0.87 3.52 0.00 -0.72 0.00 -1.24 -5.18 105.19 100.69 3gtm n GLY 647 Ca 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3gtm n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3gtm n HIS 648 N 0.00 0.00 -3.31 1.61 1.44 -1.26 -4.95 115.22 108.75 3gtm n HIS 648 Ca 0.00 0.00 -0.45 0.00 -2.01 0.00 0.00 57.72 55.26 3gtm n HIS 648 Cb 0.00 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.05 3gtm n HIS 648 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 3gtm s LYS 649 N 4.10 3.00 0.01 -1.40 2.47 -1.26 -4.18 119.74 122.48 3gtm s LYS 649 Ca 0.00 -1.48 0.01 0.00 -1.56 0.00 0.00 55.97 52.94 3gtm s LYS 649 Cb 0.00 -4.22 -0.01 0.00 -1.46 0.00 0.00 37.83 32.14 3gtm s LYS 649 CO 0.00 -1.23 -0.04 -2.00 0.16 0.00 0.00 175.35 172.24 3gtm s GLU 650 N 1.80 0.32 0.46 4.03 2.56 -1.21 -4.95 118.70 121.71 3gtm s GLU 650 Ca 0.05 -0.38 -0.23 0.00 0.00 0.00 0.00 54.97 54.41 3gtm s GLU 650 Cb -0.26 -0.16 -0.10 0.00 2.00 0.00 0.00 34.13 35.61 3gtm s GLU 650 CO 0.05 0.03 0.95 1.28 -0.56 0.00 0.00 175.26 177.02 3gtm n LEU 651 N 2.30 2.56 0.01 2.70 4.77 -1.26 -4.31 117.00 123.78 3gtm n LEU 651 Ca -0.18 0.97 -0.10 0.00 -0.03 0.00 0.00 56.01 56.67 3gtm n LEU 651 Cb 0.57 -1.34 0.04 0.00 -2.33 0.00 0.00 43.42 40.36 3gtm n LEU 651 CO 0.23 -1.70 0.43 0.11 -1.33 0.00 0.00 177.39 175.13 3gtm h LYS 652 N 1.26 0.54 -6.41 3.23 1.57 -1.36 -3.43 116.57 111.97 3gtm h LYS 652 Ca -0.45 -0.37 -0.53 0.00 -1.87 0.00 0.00 60.65 57.43 3gtm h LYS 652 Cb 1.35 0.06 0.02 0.00 0.08 0.00 0.00 32.23 33.73 3gtm h LYS 652 CO 0.55 0.99 1.11 0.08 -0.57 0.00 0.00 179.45 181.61 3gtm s VAL 653 N -3.88 2.98 0.32 0.50 1.01 -1.26 -4.99 120.40 115.08 3gtm s VAL 653 Ca -0.07 0.27 0.09 0.00 0.00 0.00 0.00 61.98 62.26 3gtm s VAL 653 Cb 0.11 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3gtm s VAL 653 CO 0.85 -0.01 0.08 -0.13 0.00 0.00 0.00 175.10 175.88 3gtm s ARG 654 N 3.42 2.30 0.67 2.72 1.81 -1.26 -4.63 118.95 123.97 3gtm s ARG 654 Ca 0.80 -1.55 0.38 0.00 -1.72 0.00 0.00 55.73 53.64 3gtm s ARG 654 Cb -0.41 -2.13 2.06 0.00 -0.45 0.00 0.00 34.95 34.02 3gtm s ARG 654 CO 0.36 0.19 2.16 -0.22 -0.68 0.00 0.00 175.30 177.10 3gtm h LYS 655 N 1.69 0.00 0.00 3.54 3.64 -1.39 -0.51 116.57 123.54 3gtm h LYS 655 Ca -0.44 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3gtm h LYS 655 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3gtm h LYS 655 CO 0.63 0.00 -0.00 0.78 -2.27 0.00 0.00 179.45 178.59 3gtm h GLY 656 N 0.00 -0.01 0.61 5.01 0.00 -1.74 0.18 103.07 107.12 3gtm h GLY 656 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 3gtm h GLY 656 CO -0.00 -0.00 0.52 0.45 0.00 0.00 0.00 176.54 177.51 3gtm h HIS 657 N -0.29 0.95 -0.24 5.60 3.86 -1.40 0.33 115.15 123.96 3gtm h HIS 657 Ca -0.00 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.10 3gtm h HIS 657 Cb 0.29 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 3gtm h HIS 657 CO 0.02 0.43 -0.43 0.82 0.86 0.00 0.00 177.93 179.63 3gtm h ILE 658 N 0.90 1.30 -0.19 2.45 2.04 -1.34 -1.53 117.51 121.13 3gtm h ILE 658 Ca 0.40 -1.62 -0.09 0.00 1.00 0.00 0.00 64.86 64.55 3gtm h ILE 658 Cb 0.29 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3gtm h ILE 658 CO -0.21 0.51 -0.28 0.00 0.00 0.00 0.00 178.15 178.17 3gtm h ALA 659 N 1.04 1.17 0.00 1.87 0.00 0.02 -2.23 119.26 121.11 3gtm h ALA 659 Ca 0.04 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 3gtm h ALA 659 Cb 0.95 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3gtm h ALA 659 CO 0.09 0.54 -0.30 -0.22 0.00 0.00 0.00 179.25 179.35 3gtm h LYS 660 N 0.33 0.00 0.17 0.00 3.64 -0.59 -2.46 116.57 117.66 3gtm h LYS 660 Ca 0.05 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.20 3gtm h LYS 660 Cb 0.67 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.51 3gtm h LYS 660 CO 0.05 0.30 -0.98 -0.07 -2.27 0.00 0.00 179.45 176.49 3gtm h LEU 661 N 0.00 0.57 -1.76 5.20 3.38 -1.04 -3.27 115.31 118.38 3gtm h LEU 661 Ca -0.00 -0.94 -0.02 0.00 0.09 0.00 0.00 57.88 57.00 3gtm h LEU 661 Cb 1.05 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3gtm h LEU 661 CO 0.04 1.47 -0.11 0.24 0.09 0.00 0.00 178.44 180.17 3gtm h MET 662 N -0.24 0.00 -0.43 1.13 2.86 -1.42 -1.95 114.93 114.87 3gtm h MET 662 Ca -0.17 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.43 3gtm h MET 662 Cb 1.77 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.41 3gtm h MET 662 CO 0.18 0.11 0.10 0.00 1.06 0.00 0.00 176.91 178.36 3gtm h ALA 663 N 1.89 1.37 0.00 6.32 0.00 -1.49 -1.93 119.26 125.42 3gtm h ALA 663 Ca -0.00 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 3gtm h ALA 663 Cb 0.43 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3gtm h ALA 663 CO 0.01 0.45 -1.05 1.15 0.00 0.00 0.00 179.25 179.82 3gtm h THR 664 N 0.62 1.31 -0.01 0.00 2.02 -1.44 -3.25 112.91 112.17 3gtm h THR 664 Ca 0.14 -2.95 0.00 0.00 0.77 0.00 0.00 66.41 64.37 3gtm h THR 664 Cb 0.25 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 3gtm h THR 664 CO -0.00 0.74 -0.03 1.21 0.37 0.00 0.00 175.52 177.81 3gtm n GLU 665 N -3.24 1.31 -0.01 6.66 2.13 -1.04 -3.41 120.64 123.04 3gtm n GLU 665 Ca -0.03 -0.58 0.12 0.00 0.66 0.00 0.00 57.16 57.33 3gtm n GLU 665 Cb 0.91 -1.49 0.10 0.00 0.27 0.00 0.00 31.44 31.23 3gtm n GLU 665 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 3gtm n TYR 666 N -0.34 0.03 -3.15 4.31 9.36 -0.74 -4.83 117.16 121.79 3gtm n TYR 666 Ca 0.19 -0.01 0.04 0.00 3.32 0.00 0.00 57.90 61.44 3gtm n TYR 666 Cb 0.28 -0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.98 3gtm n TYR 666 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 3gtm s GLN 667 N -1.92 0.42 0.00 2.98 1.03 -1.22 -5.09 119.66 115.87 3gtm s GLN 667 Ca 0.28 0.60 0.00 0.00 0.04 0.00 0.00 55.36 56.28 3gtm s GLN 667 Cb 0.20 0.31 0.00 0.00 0.03 0.00 0.00 33.01 33.55 3gtm s GLN 667 CO 0.29 -0.61 0.02 -0.40 -2.54 0.00 0.00 175.29 172.05 3gtm n ASP 668 N 5.39 0.00 -0.14 12.60 3.85 -1.26 -4.84 116.55 132.15 3gtm n ASP 668 Ca 0.01 0.00 0.09 0.00 -0.71 0.00 0.00 54.79 54.18 3gtm n ASP 668 Cb 0.53 0.00 0.14 0.00 -1.35 0.00 0.00 41.12 40.45 3gtm n ASP 668 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 3gtm n GLU 678 N -0.32 1.26 -3.31 0.11 0.28 -1.26 -5.06 120.64 112.34 3gtm n GLU 678 Ca 0.00 -2.59 -0.47 0.00 -0.16 0.00 0.00 57.16 53.95 3gtm n GLU 678 Cb 0.02 -1.47 -0.03 0.00 1.43 0.00 0.00 31.44 31.39 3gtm n GLU 678 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3gtm s TYR 679 N -2.80 3.55 1.25 -1.84 5.04 -1.26 -5.05 117.35 116.22 3gtm s TYR 679 Ca 0.31 -1.70 -0.21 0.00 -2.44 0.00 0.00 57.07 53.03 3gtm s TYR 679 Cb 0.28 -3.83 0.31 0.00 0.35 0.00 0.00 41.96 39.07 3gtm s TYR 679 CO 0.02 -1.02 0.99 0.25 -1.34 0.00 0.00 175.55 174.44 3gtm n THR 680 N 4.50 0.00 -0.03 4.34 -2.24 -1.26 -4.85 114.28 114.75 3gtm n THR 680 Ca 0.04 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 3gtm n THR 680 Cb 0.44 -1.15 -0.09 0.00 -2.10 0.00 0.00 70.33 67.44 3gtm n THR 680 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3gtm h TRP 681 N -2.94 0.14 -0.98 4.78 2.91 -1.95 -3.30 115.95 114.62 3gtm h TRP 681 Ca -0.39 -0.04 0.32 0.00 1.13 0.00 0.00 58.89 59.92 3gtm h TRP 681 Cb 1.22 -0.03 -0.16 0.00 -0.51 0.00 0.00 29.16 29.68 3gtm h TRP 681 CO 0.00 0.53 0.45 1.03 -1.03 0.00 0.00 178.44 179.42 3gtm h SER 682 N -0.29 0.28 -0.79 2.65 0.87 -1.92 0.16 113.55 114.51 3gtm h SER 682 Ca 0.01 0.22 0.11 0.00 -1.23 0.00 0.00 61.79 60.89 3gtm h SER 682 Cb 0.50 0.23 -0.08 0.00 -0.44 0.00 0.00 62.40 62.61 3gtm h SER 682 CO 0.01 -0.23 0.42 0.77 -0.53 0.00 0.00 176.83 177.26 3gtm h SER 683 N 0.20 0.56 -1.01 6.23 4.64 -1.92 0.17 113.55 122.41 3gtm h SER 683 Ca 0.71 0.06 0.12 0.00 -0.47 0.00 0.00 61.79 62.22 3gtm h SER 683 Cb 1.66 -0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 63.63 3gtm h SER 683 CO -0.68 0.30 0.63 -0.07 -0.87 0.00 0.00 176.83 176.14 3gtm h LEU 684 N 0.68 0.92 -1.37 5.97 3.38 -0.84 -0.38 115.31 123.67 3gtm h LEU 684 Ca 0.39 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.35 3gtm h LEU 684 Cb 0.43 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3gtm h LEU 684 CO -0.28 0.48 -0.29 0.25 0.09 0.00 0.00 178.44 178.69 3gtm h LEU 685 N 0.98 0.00 0.01 1.67 5.85 -0.67 -2.61 115.31 120.53 3gtm h LEU 685 Ca 0.50 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.94 3gtm h LEU 685 Cb 0.51 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 3gtm h LEU 685 CO -0.27 0.29 -1.57 0.78 -0.34 0.00 0.00 178.44 177.33 3gtm h ASN 686 N 0.00 0.03 -0.57 1.25 4.21 -0.34 -3.32 115.58 116.84 3gtm h ASN 686 Ca -0.00 -0.06 -0.22 0.00 1.21 0.00 0.00 56.30 57.23 3gtm h ASN 686 Cb 0.62 -0.01 -0.13 0.00 -1.12 0.00 0.00 38.32 37.68 3gtm h ASN 686 CO 0.04 1.05 0.28 -0.62 -1.29 0.00 0.00 177.43 176.89 3gtm n GLU 687 N -3.14 2.52 -4.10 0.81 1.02 -0.44 -4.40 120.64 112.91 3gtm n GLU 687 Ca -0.14 -2.07 -0.31 0.00 -0.02 0.00 0.00 57.16 54.61 3gtm n GLU 687 Cb 1.03 -1.88 -0.02 0.00 -0.02 0.00 0.00 31.44 30.54 3gtm n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gtm n GLY 688 N -0.23 -0.35 0.08 0.62 0.00 -1.19 -4.84 105.19 99.29 3gtm n GLY 688 Ca 0.32 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.39 3gtm n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtm n LEU 689 N -4.42 1.05 -4.35 0.99 4.77 -0.99 -4.84 117.00 109.20 3gtm n LEU 689 Ca -0.09 -0.04 -0.29 0.00 -0.03 0.00 0.00 56.01 55.55 3gtm n LEU 689 Cb 0.58 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.53 3gtm n LEU 689 CO 0.81 0.54 -0.57 -0.69 -1.33 0.00 0.00 177.39 176.16 3gtm s VAL 690 N -2.38 2.14 -0.02 4.08 1.01 -1.17 -0.83 120.40 123.24 3gtm s VAL 690 Ca -0.14 -1.49 0.02 0.00 0.00 0.00 0.00 61.98 60.37 3gtm s VAL 690 Cb 0.05 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.58 3gtm s VAL 690 CO 0.57 0.27 -0.07 -0.70 0.00 0.00 0.00 175.10 175.17 3gtm s GLU 691 N -1.48 0.70 0.00 2.72 2.12 -0.62 -4.57 118.70 117.58 3gtm s GLU 691 Ca 0.12 -0.24 -0.25 0.00 0.36 0.00 0.00 54.97 54.96 3gtm s GLU 691 Cb -0.10 -0.68 -0.05 0.00 0.26 0.00 0.00 34.13 33.57 3gtm s GLU 691 CO 0.03 0.11 0.77 0.71 -0.54 0.00 0.00 175.26 176.34 3gtm s TYR 692 N 0.09 3.67 -0.04 5.30 4.12 -1.26 -1.58 117.35 127.66 3gtm s TYR 692 Ca -0.01 1.43 -0.01 0.00 0.02 0.00 0.00 57.07 58.50 3gtm s TYR 692 Cb -0.06 -2.86 0.03 0.00 -1.52 0.00 0.00 41.96 37.55 3gtm s TYR 692 CO -0.00 0.17 0.02 0.42 0.02 0.00 0.00 175.55 176.18 3gtm s ILE 693 N 0.38 0.10 0.50 2.71 1.01 -0.22 -4.94 121.20 120.73 3gtm s ILE 693 Ca 0.40 0.20 -0.01 0.00 0.00 0.00 0.00 60.65 61.25 3gtm s ILE 693 Cb -0.20 -0.25 0.10 0.00 0.01 0.00 0.00 42.46 42.12 3gtm s ILE 693 CO 0.22 0.16 0.68 -0.90 0.00 0.00 0.00 174.94 175.11 3gtm n ASP 694 N 4.61 0.87 0.13 3.58 5.75 -1.26 -1.54 116.55 128.69 3gtm n ASP 694 Ca -0.18 -1.75 -0.14 0.00 -0.01 0.00 0.00 54.79 52.72 3gtm n ASP 694 Cb 0.50 -0.45 -0.08 0.00 -1.03 0.00 0.00 41.12 40.06 3gtm n ASP 694 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gtm h ALA 695 N -0.62 -0.32 -0.79 2.12 0.00 -1.93 0.13 119.26 117.84 3gtm h ALA 695 Ca -0.23 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.66 3gtm h ALA 695 Cb 0.82 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 3gtm h ALA 695 CO 0.24 -0.55 0.52 1.49 0.00 0.00 0.00 179.25 180.94 3gtm h GLU 696 N -0.57 0.52 0.00 0.00 4.57 -1.93 0.36 114.58 117.53 3gtm h GLU 696 Ca -0.03 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 57.98 3gtm h GLU 696 Cb 0.42 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 3gtm h GLU 696 CO 0.05 0.35 -0.98 1.49 -1.18 0.00 0.00 179.01 178.73 3gtm h GLU 697 N 0.54 0.00 -0.40 1.92 4.81 -1.88 -3.21 114.58 116.35 3gtm h GLU 697 Ca 0.39 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.73 3gtm h GLU 697 Cb 0.74 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 3gtm h GLU 697 CO -0.14 0.39 0.32 1.49 -0.73 0.00 0.00 179.01 180.34 3gtm h GLU 698 N 0.00 0.00 0.00 1.92 4.81 0.15 -1.46 114.58 119.99 3gtm h GLU 698 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3gtm h GLU 698 Cb 1.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.86 3gtm h GLU 698 CO 0.06 0.00 0.00 0.93 -0.73 0.00 0.00 179.01 179.27 3gtm h GLU 699 N 0.00 0.00 -0.23 1.92 4.39 -1.50 -2.87 114.58 116.29 3gtm h GLU 699 Ca 0.19 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.79 3gtm h GLU 699 Cb 0.84 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.43 3gtm h GLU 699 CO -0.00 0.00 -0.14 -1.13 -1.16 0.00 0.00 179.01 176.57 3gtm n SER 700 N -2.71 2.52 -4.28 1.42 3.41 -0.55 -5.01 113.62 108.41 3gtm n SER 700 Ca -0.01 -3.62 -0.15 0.00 -0.26 0.00 0.00 58.87 54.83 3gtm n SER 700 Cb 0.15 -0.58 -0.10 0.00 -0.26 0.00 0.00 64.21 63.41 3gtm n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3gtm s ILE 701 N -3.15 0.75 -0.34 -1.33 -4.36 -1.08 -5.03 121.20 106.65 3gtm s ILE 701 Ca 0.42 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.82 3gtm s ILE 701 Cb 0.38 -2.29 0.11 0.00 1.25 0.00 0.00 42.46 41.90 3gtm s ILE 701 CO 0.00 -0.33 0.10 -0.22 0.24 0.00 0.00 174.94 174.73 3gtm s LEU 702 N -3.24 3.17 -0.15 0.37 2.96 -1.26 -5.01 118.68 115.52 3gtm s LEU 702 Ca 0.28 -1.96 -0.25 0.00 -0.22 0.00 0.00 54.13 51.98 3gtm s LEU 702 Cb 0.06 -1.15 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 3gtm s LEU 702 CO 0.07 -0.38 0.80 -0.63 -1.32 0.00 0.00 176.35 174.89 3gtm s ILE 703 N 1.18 4.92 0.56 6.68 1.01 -1.25 -2.70 121.20 131.59 3gtm s ILE 703 Ca 0.11 1.58 -0.06 0.00 0.00 0.00 0.00 60.65 62.28 3gtm s ILE 703 Cb -0.19 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.16 3gtm s ILE 703 CO -0.16 0.07 0.87 0.00 0.00 0.00 0.00 174.94 175.72 3gtm s ALA 704 N 1.90 3.32 -0.19 9.38 0.00 0.43 -4.94 121.76 131.66 3gtm s ALA 704 Ca 0.38 -0.59 -0.15 0.00 0.00 0.00 0.00 51.96 51.60 3gtm s ALA 704 Cb -0.17 -2.63 -0.10 0.00 0.00 0.00 0.00 23.12 20.22 3gtm s ALA 704 CO 0.14 -0.64 -0.14 -0.12 0.00 0.00 0.00 175.76 174.99 3gtm n MET 705 N -2.49 0.52 -4.25 0.00 1.56 -1.26 -1.98 117.12 109.22 3gtm n MET 705 Ca 0.03 0.42 -0.21 0.00 -0.27 0.00 0.00 57.70 57.68 3gtm n MET 705 Cb 0.56 -1.61 -0.16 0.00 2.15 0.00 0.00 33.22 34.16 3gtm n MET 705 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3gtm s GLN 706 N -2.47 0.99 0.00 2.12 -0.21 -1.26 -4.38 119.66 114.45 3gtm s GLN 706 Ca -0.26 -0.17 0.11 0.00 0.02 0.00 0.00 55.36 55.06 3gtm s GLN 706 Cb 0.06 -0.93 0.61 0.00 1.00 0.00 0.00 33.01 33.74 3gtm s GLN 706 CO 0.41 -0.05 1.14 -0.35 -2.12 0.00 0.00 175.29 174.32 3gtm n PRO 707 N 3.97 0.27 -0.03 2.91 -0.04 -1.26 -2.15 135.00 138.67 3gtm n PRO 707 Ca -0.25 0.07 -0.07 0.00 -0.04 0.00 0.00 63.50 63.20 3gtm n PRO 707 Cb 0.51 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 3gtm n PRO 707 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3gtm n GLU 708 N -1.10 0.17 -0.16 0.54 0.28 -1.26 -4.46 120.64 114.64 3gtm n GLU 708 Ca 0.07 0.07 -0.06 0.00 -0.16 0.00 0.00 57.16 57.08 3gtm n GLU 708 Cb 0.05 -0.78 0.11 0.00 1.43 0.00 0.00 31.44 32.25 3gtm n GLU 708 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3gtm h ASP 709 N -0.29 0.89 -0.82 -1.84 3.32 -1.97 -3.32 116.42 112.40 3gtm h ASP 709 Ca -0.16 -0.21 -0.55 0.00 0.02 0.00 0.00 57.03 56.13 3gtm h ASP 709 Cb 0.99 -0.24 -0.24 0.00 0.22 0.00 0.00 39.33 40.07 3gtm h ASP 709 CO -0.10 0.93 0.71 0.18 -1.72 0.00 0.00 179.24 179.23 3gtm n LEU 710 N -4.21 7.20 0.00 1.55 4.77 -0.91 -4.42 117.00 120.97 3gtm n LEU 710 Ca 0.03 -3.89 0.00 0.00 -0.03 0.00 0.00 56.01 52.12 3gtm n LEU 710 Cb 0.30 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 3gtm n LEU 710 CO 0.42 1.36 0.00 -0.62 -1.33 0.00 0.00 177.39 177.22 3gtm n GLU 711 N -0.50 0.55 -0.07 3.23 -0.58 -1.25 -4.88 120.64 117.14 3gtm n GLU 711 Ca 0.51 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 57.18 3gtm n GLU 711 Cb 0.69 -0.36 -0.05 0.00 -0.57 0.00 0.00 31.44 31.16 3gtm n GLU 711 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3gtm h PRO 712 N 0.00 0.00 0.00 3.49 0.11 -1.77 -3.47 132.00 130.36 3gtm h PRO 712 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3gtm h PRO 712 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3gtm h PRO 712 CO 0.00 0.33 0.00 0.00 -0.21 0.00 0.00 178.00 178.12 3gtm n ALA 713 N -3.11 0.00 -2.76 -0.75 0.00 -1.26 -5.03 120.51 107.59 3gtm n ALA 713 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 3gtm n ALA 713 Cb 0.27 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.74 3gtm n ALA 713 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3gtm n GLU 714 N -0.66 1.11 0.00 0.00 2.13 -1.26 -5.14 120.64 116.82 3gtm n GLU 714 Ca 0.00 -3.27 0.00 0.00 0.66 0.00 0.00 57.16 54.55 3gtm n GLU 714 Cb 0.00 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 30.38 3gtm n GLU 714 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gtm n ALA 715 N 0.01 0.00 -2.99 4.31 0.00 -1.26 -5.35 120.51 115.23 3gtm n ALA 715 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3gtm n ALA 715 Cb 0.79 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.34 3gtm n ALA 715 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gtm n ASP 722 N -1.35 0.00 -4.41 0.00 8.00 -1.26 -5.36 116.55 112.18 3gtm n ASP 722 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 3gtm n ASP 722 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.25 3gtm n ASP 722 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3gtm s VAL 723 N 4.00 2.05 -0.34 2.53 0.11 -1.26 -5.08 120.40 122.42 3gtm s VAL 723 Ca 0.00 -0.34 -0.14 0.00 -2.93 0.00 0.00 61.98 58.57 3gtm s VAL 723 Cb 0.00 -2.71 -0.02 0.00 -1.53 0.00 0.00 36.38 32.13 3gtm s VAL 723 CO 0.00 0.00 0.30 -0.62 -3.33 0.00 0.00 175.10 171.45 3gtm s ASP 724 N -4.83 6.12 0.30 3.54 -1.08 -1.26 -4.97 116.67 114.49 3gtm s ASP 724 Ca 0.70 -0.29 0.20 0.00 -0.52 0.00 0.00 52.55 52.65 3gtm s ASP 724 Cb -0.04 -2.17 1.09 0.00 -1.46 0.00 0.00 42.92 40.34 3gtm s ASP 724 CO 0.48 -0.28 1.62 -0.81 0.52 0.00 0.00 175.17 176.71 3gtm n PRO 725 N 5.25 0.13 0.05 4.34 -0.04 -1.26 -1.73 135.00 141.75 3gtm n PRO 725 Ca -0.11 0.62 -0.01 0.00 -0.04 0.00 0.00 63.50 63.96 3gtm n PRO 725 Cb 0.50 -1.93 -0.07 0.00 -0.04 0.00 0.00 33.50 31.96 3gtm n PRO 725 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gtm h ALA 726 N 2.01 0.64 -2.38 0.55 0.00 -2.03 -3.47 119.26 114.57 3gtm h ALA 726 Ca 0.00 -0.84 -0.49 0.00 0.00 0.00 0.00 54.91 53.58 3gtm h ALA 726 Cb 0.01 0.17 0.12 0.00 0.00 0.00 0.00 17.79 18.09 3gtm h ALA 726 CO 0.00 0.98 0.31 0.15 0.00 0.00 0.00 179.25 180.69 3gtm s LYS 727 N -2.86 1.87 1.05 0.00 1.02 -0.70 -4.86 119.74 115.25 3gtm s LYS 727 Ca -0.01 0.72 -0.12 0.00 0.02 0.00 0.00 55.97 56.57 3gtm s LYS 727 Cb 0.08 -1.89 0.22 0.00 -0.52 0.00 0.00 37.83 35.73 3gtm s LYS 727 CO 0.80 -1.79 1.07 -0.98 -0.92 0.00 0.00 175.35 173.53 3gtm s ARG 728 N -5.08 -0.02 -1.04 1.68 1.70 -1.26 -4.96 118.95 109.97 3gtm s ARG 728 Ca 0.61 0.86 -0.08 0.00 -0.47 0.00 0.00 55.73 56.65 3gtm s ARG 728 Cb -0.15 -1.66 0.26 0.00 -0.57 0.00 0.00 34.95 32.83 3gtm s ARG 728 CO 0.55 -3.12 1.01 0.42 -1.08 0.00 0.00 175.30 173.07 3gtm s ILE 729 N -2.68 5.63 0.09 4.99 1.01 -1.26 -5.03 121.20 123.94 3gtm s ILE 729 Ca 0.67 -3.42 -0.30 0.00 0.00 0.00 0.00 60.65 57.60 3gtm s ILE 729 Cb -0.22 -4.41 -0.05 0.00 0.01 0.00 0.00 42.46 37.79 3gtm s ILE 729 CO 0.61 -1.15 0.98 -0.60 0.00 0.00 0.00 174.94 174.78 3gtm s ARG 730 N -1.13 4.65 0.00 2.79 3.52 -1.26 -5.03 118.95 122.48 3gtm s ARG 730 Ca 0.29 1.47 0.00 0.00 -0.13 0.00 0.00 55.73 57.36 3gtm s ARG 730 Cb -0.10 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.90 3gtm s ARG 730 CO -0.09 0.12 0.00 0.28 -0.81 0.00 0.00 175.30 174.80 3gtm n VAL 731 N 3.08 0.00 -4.77 7.11 0.31 -1.26 -5.08 118.33 117.73 3gtm n VAL 731 Ca 0.03 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.12 3gtm n VAL 731 Cb 0.49 -1.78 -0.15 0.00 -0.91 0.00 0.00 33.84 31.49 3gtm n VAL 731 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3gtm s SER 732 N -1.11 1.91 -0.06 4.52 1.04 -1.26 -5.06 113.70 113.68 3gtm s SER 732 Ca 0.00 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.16 3gtm s SER 732 Cb 0.00 -0.25 -0.25 0.00 0.10 0.00 0.00 66.02 65.62 3gtm s SER 732 CO 0.00 0.19 0.61 -0.74 0.98 0.00 0.00 173.24 174.28 3gtm h HIS 733 N 5.80 0.26 0.00 5.02 2.76 -1.98 -3.46 115.15 123.54 3gtm h HIS 733 Ca -0.36 -0.19 0.00 0.00 -2.20 0.00 0.00 60.37 57.63 3gtm h HIS 733 Cb 1.16 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.11 3gtm h HIS 733 CO 0.40 1.35 0.00 0.72 -1.30 0.00 0.00 177.93 179.10 3gtm n HIS 734 N -3.28 0.00 -1.89 5.26 8.25 -1.26 -4.85 115.22 117.44 3gtm n HIS 734 Ca -0.22 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.83 3gtm n HIS 734 Cb 1.05 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.13 3gtm n HIS 734 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gtm s ALA 735 N 0.00 3.73 -0.40 -1.41 0.00 -1.26 -4.95 121.76 117.48 3gtm s ALA 735 Ca 0.00 1.44 0.07 0.00 0.00 0.00 0.00 51.96 53.47 3gtm s ALA 735 Cb 0.00 -3.61 0.23 0.00 0.00 0.00 0.00 23.12 19.74 3gtm s ALA 735 CO 0.00 -0.84 0.48 2.41 0.00 0.00 0.00 175.76 177.81 3gtm n THR 736 N 2.86 -0.76 -2.00 0.00 -1.04 -1.26 -4.78 114.28 107.30 3gtm n THR 736 Ca 0.10 -3.90 0.04 0.00 -2.04 0.00 0.00 64.05 58.24 3gtm n THR 736 Cb 0.38 -1.89 0.05 0.00 -1.82 0.00 0.00 70.33 67.05 3gtm n THR 736 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3gtm n THR 737 N 1.73 0.54 -1.53 12.58 -1.04 -1.26 -5.12 114.28 120.18 3gtm n THR 737 Ca 0.23 -1.08 -0.46 0.00 -2.04 0.00 0.00 64.05 60.69 3gtm n THR 737 Cb 0.52 0.48 -0.02 0.00 -1.82 0.00 0.00 70.33 69.48 3gtm n THR 737 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3gtm n PHE 738 N -0.16 0.77 -0.03 -1.42 0.99 -1.26 -4.82 117.46 111.54 3gtm n PHE 738 Ca 0.07 0.78 -0.04 0.00 -0.00 0.00 0.00 57.45 58.26 3gtm n PHE 738 Cb 0.85 -2.17 -0.02 0.00 -1.00 0.00 0.00 39.48 37.14 3gtm n PHE 738 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 3gtm n THR 739 N 0.38 0.31 -4.06 4.37 -2.24 -1.10 -4.72 114.28 107.22 3gtm n THR 739 Ca 0.13 -0.12 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 3gtm n THR 739 Cb 0.28 -0.75 -0.12 0.00 -2.10 0.00 0.00 70.33 67.65 3gtm n THR 739 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3gtm s HIS 740 N -2.11 0.63 0.17 4.78 3.76 -1.20 -2.15 115.29 119.18 3gtm s HIS 740 Ca -0.07 -0.48 0.09 0.00 -0.15 0.00 0.00 55.06 54.44 3gtm s HIS 740 Cb 0.02 -0.38 -0.04 0.00 1.11 0.00 0.00 32.58 33.28 3gtm s HIS 740 CO 0.12 -0.09 -0.09 0.00 -0.85 0.00 0.00 174.74 173.83 3gtm s GLU 742 N -2.79 4.09 0.49 0.00 2.12 -0.84 -0.97 118.70 120.80 3gtm s GLU 742 Ca 0.25 -0.10 0.33 0.00 0.36 0.00 0.00 54.97 55.80 3gtm s GLU 742 Cb -0.09 -3.56 1.44 0.00 0.26 0.00 0.00 34.13 32.19 3gtm s GLU 742 CO 0.15 -0.01 1.73 0.82 -0.54 0.00 0.00 175.26 177.41 3gtm h ILE 743 N 5.07 0.32 0.00 -3.70 1.08 -1.89 -3.40 117.51 114.99 3gtm h ILE 743 Ca -0.37 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 3gtm h ILE 743 Cb 1.17 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 3gtm h ILE 743 CO 0.67 0.02 0.00 1.57 -0.69 0.00 0.00 178.15 179.72 3gtm n HIS 744 N -4.36 0.00 -0.33 1.37 -0.00 -1.26 -4.79 115.22 105.84 3gtm n HIS 744 Ca 0.31 0.00 0.32 0.00 0.46 0.00 0.00 57.72 58.81 3gtm n HIS 744 Cb 1.30 0.00 0.59 0.00 -0.12 0.00 0.00 29.99 31.76 3gtm n HIS 744 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 3gtm n PRO 745 N 0.00 -0.06 0.00 1.57 -0.02 -1.26 -1.56 135.00 133.68 3gtm n PRO 745 Ca 0.00 1.35 0.00 0.00 -2.02 0.00 0.00 63.50 62.83 3gtm n PRO 745 Cb 0.00 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.03 3gtm n PRO 745 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gtm n SER 746 N -5.19 0.00 -0.53 2.55 3.41 -1.26 -2.05 113.62 110.55 3gtm n SER 746 Ca 0.38 0.23 0.14 0.00 -0.26 0.00 0.00 58.87 59.36 3gtm n SER 746 Cb 1.30 -0.23 0.47 0.00 -0.26 0.00 0.00 64.21 65.49 3gtm n SER 746 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3gtm n MET 747 N -1.20 1.72 0.00 4.33 2.81 -0.60 -3.51 117.12 120.67 3gtm n MET 747 Ca 0.00 -1.06 0.10 0.00 -1.81 0.00 0.00 57.70 54.93 3gtm n MET 747 Cb 0.03 -1.48 0.55 0.00 -0.71 0.00 0.00 33.22 31.62 3gtm n MET 747 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3gtm n ILE 748 N 0.29 0.27 -2.80 2.02 -5.35 -0.87 -4.46 119.36 108.47 3gtm n ILE 748 Ca 0.18 0.07 -0.30 0.00 -0.27 0.00 0.00 62.75 62.43 3gtm n ILE 748 Cb 0.38 -0.73 -0.03 0.00 -1.74 0.00 0.00 39.64 37.53 3gtm n ILE 748 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3gtm s LEU 749 N -2.43 3.80 0.59 7.28 1.43 -1.23 -3.95 118.68 124.16 3gtm s LEU 749 Ca 0.23 1.16 0.08 0.00 -1.03 0.00 0.00 54.13 54.57 3gtm s LEU 749 Cb 0.14 -4.05 0.09 0.00 0.03 0.00 0.00 46.19 42.40 3gtm s LEU 749 CO 0.30 -0.43 0.82 -0.83 0.23 0.00 0.00 176.35 176.44 3gtm s GLY 750 N -3.22 1.74 0.00 -3.19 0.00 -1.26 -3.86 107.32 97.53 3gtm s GLY 750 Ca 0.52 -2.08 0.00 0.00 0.00 0.00 0.00 44.72 43.16 3gtm s GLY 750 CO 0.32 -1.60 0.97 -0.62 0.00 0.00 0.00 173.10 172.17 3gtm n VAL 751 N -2.32 0.00 -0.11 1.40 0.31 -1.26 -1.42 118.33 114.92 3gtm n VAL 751 Ca 0.15 1.47 -0.06 0.00 -0.01 0.00 0.00 64.34 65.90 3gtm n VAL 751 Cb 0.61 -2.17 0.01 0.00 -0.91 0.00 0.00 33.84 31.38 3gtm n VAL 751 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gtm h ALA 752 N -1.43 0.05 -0.63 3.52 0.00 -1.96 -0.14 119.26 118.66 3gtm h ALA 752 Ca 0.00 0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.19 3gtm h ALA 752 Cb 0.00 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3gtm h ALA 752 CO 0.00 -0.59 0.43 0.00 0.00 0.00 0.00 179.25 179.09 3gtm h ALA 753 N 1.08 2.29 0.00 0.00 0.00 -1.91 -2.50 119.26 118.21 3gtm h ALA 753 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3gtm h ALA 753 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3gtm h ALA 753 CO -0.48 -0.46 0.00 0.43 0.00 0.00 0.00 179.25 178.74 3gtm n SER 754 N -4.43 0.50 0.16 0.00 7.64 -0.07 -2.24 113.62 115.19 3gtm n SER 754 Ca 0.12 0.62 0.12 0.00 1.01 0.00 0.00 58.87 60.73 3gtm n SER 754 Cb 0.55 -0.73 0.13 0.00 -1.01 0.00 0.00 64.21 63.15 3gtm n SER 754 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3gtm h ILE 755 N 0.00 0.00 -2.75 0.44 2.04 -1.50 -3.44 117.51 112.30 3gtm h ILE 755 Ca 0.00 -0.93 -0.53 0.00 1.00 0.00 0.00 64.86 64.39 3gtm h ILE 755 Cb 0.36 1.74 0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3gtm h ILE 755 CO 0.00 0.00 0.95 -0.63 0.00 0.00 0.00 178.15 178.47 3gtm s ILE 756 N -3.25 3.16 0.08 -0.67 1.01 -0.95 -4.84 121.20 115.73 3gtm s ILE 756 Ca 0.05 0.62 -0.28 0.00 0.00 0.00 0.00 60.65 61.04 3gtm s ILE 756 Cb 0.08 -3.40 -0.06 0.00 0.01 0.00 0.00 42.46 39.09 3gtm s ILE 756 CO 0.71 0.00 0.88 -2.16 0.00 0.00 0.00 174.94 174.37 3gtm s PRO 757 N 2.46 4.61 -1.34 2.79 0.04 -1.26 -4.15 135.00 138.15 3gtm s PRO 757 Ca 0.71 1.28 -0.02 0.00 0.04 0.00 0.00 61.00 63.01 3gtm s PRO 757 Cb -0.38 -3.37 -0.00 0.00 0.04 0.00 0.00 34.50 30.78 3gtm s PRO 757 CO 0.31 0.24 0.56 1.19 0.04 0.00 0.00 177.00 179.33 3gtm n PHE 758 N 2.81 -1.77 0.27 0.56 3.01 -0.71 -4.80 117.46 116.83 3gtm n PHE 758 Ca 0.00 0.75 0.13 0.00 1.01 0.00 0.00 57.45 59.34 3gtm n PHE 758 Cb 0.50 -3.94 0.75 0.00 -0.01 0.00 0.00 39.48 36.78 3gtm n PHE 758 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3gtm h PRO 759 N -1.85 0.00 0.00 -1.08 0.13 -1.85 -0.19 132.00 127.16 3gtm h PRO 759 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 3gtm h PRO 759 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 3gtm h PRO 759 CO 0.59 0.10 0.00 -0.40 -0.23 0.00 0.00 178.00 178.06 3gtm n ASP 760 N -3.69 0.00 -0.61 1.44 5.75 -1.26 -1.86 116.55 116.32 3gtm n ASP 760 Ca -0.02 -1.49 0.06 0.00 -0.01 0.00 0.00 54.79 53.33 3gtm n ASP 760 Cb 0.21 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.42 3gtm n ASP 760 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3gtm n HIS 761 N -0.73 0.26 -4.48 2.11 8.25 -0.08 -5.01 115.22 115.53 3gtm n HIS 761 Ca 0.11 -0.25 -0.33 0.00 -0.26 0.00 0.00 57.72 56.99 3gtm n HIS 761 Cb 0.05 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.04 3gtm n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3gtm s ASN 762 N -1.02 4.70 0.18 0.41 -0.87 -0.78 -3.64 114.94 113.92 3gtm s ASN 762 Ca 0.20 -0.09 -0.33 0.00 -1.57 0.00 0.00 52.86 51.07 3gtm s ASN 762 Cb 0.12 -1.14 -0.14 0.00 -0.02 0.00 0.00 41.25 40.07 3gtm s ASN 762 CO 0.17 0.31 1.57 1.67 -2.57 0.00 0.00 177.10 178.24 3gtm n GLN 763 N 1.74 2.20 -0.21 -0.60 7.27 -1.21 -4.85 117.38 121.72 3gtm n GLN 763 Ca -0.16 0.79 0.00 0.00 0.07 0.00 0.00 57.00 57.70 3gtm n GLN 763 Cb 0.53 -2.55 0.03 0.00 2.41 0.00 0.00 30.24 30.66 3gtm n GLN 763 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3gtm n SER 764 N 3.28 -0.32 0.19 1.69 2.88 -1.26 -0.32 113.62 119.75 3gtm n SER 764 Ca 0.16 0.94 0.12 0.00 -1.33 0.00 0.00 58.87 58.76 3gtm n SER 764 Cb 0.30 -0.23 0.15 0.00 -0.75 0.00 0.00 64.21 63.68 3gtm n SER 764 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3gtm h PRO 765 N 0.00 0.00 0.05 -1.46 0.11 -1.99 -3.28 132.00 125.43 3gtm h PRO 765 Ca 0.20 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.34 3gtm h PRO 765 Cb 0.34 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.40 3gtm h PRO 765 CO -0.54 0.00 -0.39 -0.09 -0.21 0.00 0.00 178.00 176.77 3gtm h ARG 766 N 0.00 -0.56 -1.02 1.05 2.43 -1.02 -0.62 114.38 114.65 3gtm h ARG 766 Ca 0.00 0.04 0.26 0.00 -0.81 0.00 0.00 59.98 59.46 3gtm h ARG 766 Cb 0.98 0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 30.57 3gtm h ARG 766 CO 0.00 -0.37 0.67 -0.91 -1.51 0.00 0.00 179.97 177.85 3gtm h ASN 767 N -0.58 0.39 -0.09 -3.80 2.35 -1.64 0.40 115.58 112.61 3gtm h ASN 767 Ca 0.04 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3gtm h ASN 767 Cb 0.64 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 3gtm h ASN 767 CO -0.27 0.10 0.04 0.74 -1.65 0.00 0.00 177.43 176.39 3gtm h THR 768 N 0.35 1.00 0.28 2.81 2.02 -1.27 -1.51 112.91 116.59 3gtm h THR 768 Ca 0.56 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.70 3gtm h THR 768 Cb 1.49 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 3gtm h THR 768 CO -0.23 0.02 -0.23 1.88 0.37 0.00 0.00 175.52 177.33 3gtm h TYR 769 N 0.10 -0.60 -0.71 3.16 -1.99 -0.43 -1.83 116.97 114.66 3gtm h TYR 769 Ca 0.04 0.00 0.19 0.00 2.00 0.00 0.00 58.73 60.96 3gtm h TYR 769 Cb 0.01 0.23 -0.03 0.00 2.00 0.00 0.00 36.73 38.93 3gtm h TYR 769 CO -0.09 -0.34 0.50 0.37 -0.00 0.00 0.00 178.16 178.60 3gtm h GLN 770 N -0.52 0.10 -1.58 4.88 5.75 -1.30 0.65 115.11 123.09 3gtm h GLN 770 Ca -0.02 -0.01 -0.13 0.00 -0.15 0.00 0.00 58.65 58.34 3gtm h GLN 770 Cb 0.46 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.93 3gtm h GLN 770 CO -0.02 0.07 0.17 0.43 -2.65 0.00 0.00 178.83 176.83 3gtm n SER 771 N -4.37 5.12 -0.33 -0.69 7.64 -0.58 -3.01 113.62 117.40 3gtm n SER 771 Ca 0.14 -2.60 0.00 0.00 1.01 0.00 0.00 58.87 57.42 3gtm n SER 771 Cb 0.71 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 3gtm n SER 771 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gtm n ALA 772 N 0.76 1.66 0.00 -0.43 0.00 0.22 -4.48 120.51 118.24 3gtm n ALA 772 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3gtm n ALA 772 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3gtm n ALA 772 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3gtm n MET 773 N 0.00 0.34 0.22 0.00 2.00 -1.19 -4.75 117.12 113.74 3gtm n MET 773 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 57.70 57.81 3gtm n MET 773 Cb 0.53 -0.62 0.58 0.00 0.00 0.00 0.00 33.22 33.70 3gtm n MET 773 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3gtm h GLY 774 N 0.00 0.00 -3.07 3.03 0.00 -1.85 1.46 103.07 102.64 3gtm h GLY 774 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 3gtm h GLY 774 CO 0.00 0.00 0.21 0.28 0.00 0.00 0.00 176.54 177.03 3gtm n LYS 775 N -2.36 3.08 0.00 4.80 5.02 -1.26 -3.72 118.16 123.72 3gtm n LYS 775 Ca -0.01 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.21 3gtm n LYS 775 Cb 0.25 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 3gtm n LYS 775 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3gtm n GLN 776 N -0.51 0.64 -2.10 1.97 6.02 0.50 -4.91 117.38 118.99 3gtm n GLN 776 Ca 0.39 -0.66 -0.28 0.00 -0.01 0.00 0.00 57.00 56.43 3gtm n GLN 776 Cb 1.28 -0.72 0.17 0.00 1.02 0.00 0.00 30.24 31.98 3gtm n GLN 776 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gtm s ALA 777 N -0.27 2.60 -0.29 -1.58 0.00 -1.03 -0.29 121.76 120.90 3gtm s ALA 777 Ca 0.00 -1.35 0.03 0.00 0.00 0.00 0.00 51.96 50.64 3gtm s ALA 777 Cb 0.00 -2.58 0.08 0.00 0.00 0.00 0.00 23.12 20.62 3gtm s ALA 777 CO 0.00 -2.21 -0.01 -1.64 0.00 0.00 0.00 175.76 171.90 3gtm s MET 778 N -5.71 1.67 0.00 0.00 -1.94 -0.75 -4.61 119.30 107.96 3gtm s MET 778 Ca 0.72 -1.48 0.00 0.00 -1.71 0.00 0.00 55.69 53.22 3gtm s MET 778 Cb -0.04 -2.89 0.00 0.00 2.01 0.00 0.00 34.83 33.91 3gtm s MET 778 CO 0.51 -0.77 0.00 0.41 -0.01 0.00 0.00 175.02 175.16 3gtm n GLY 779 N 4.44 5.11 3.02 -0.03 0.00 -1.25 -4.45 105.19 112.03 3gtm n GLY 779 Ca -0.05 -1.79 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 3gtm n GLY 779 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtm s VAL 780 N 1.94 3.43 0.50 1.61 1.01 -1.24 -3.54 120.40 124.11 3gtm s VAL 780 Ca 0.00 -3.53 0.36 0.00 0.00 0.00 0.00 61.98 58.81 3gtm s VAL 780 Cb 0.00 -3.24 0.38 0.00 0.00 0.00 0.00 36.38 33.52 3gtm s VAL 780 CO 0.00 -0.93 2.22 2.19 0.00 0.00 0.00 175.10 178.57 3gtm h PHE 781 N 6.33 0.00 -2.60 5.22 -5.15 -1.86 -3.42 116.94 115.46 3gtm h PHE 781 Ca 0.04 0.00 0.06 0.00 -0.20 0.00 0.00 57.97 57.88 3gtm h PHE 781 Cb 0.87 0.00 -0.13 0.00 0.22 0.00 0.00 35.95 36.91 3gtm h PHE 781 CO 0.67 0.03 0.37 -0.51 -2.00 0.00 0.00 178.31 176.87 3gtm s LEU 782 N -6.76 -0.42 0.04 2.10 1.43 -1.26 -4.04 118.68 109.76 3gtm s LEU 782 Ca -0.04 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 3gtm s LEU 782 Cb 0.13 2.30 -0.25 0.00 0.03 0.00 0.00 46.19 48.39 3gtm s LEU 782 CO 0.50 -0.82 0.97 0.71 0.23 0.00 0.00 176.35 177.95 3gtm h THR 783 N 2.00 1.30 0.00 5.49 1.35 -1.96 -3.29 112.91 117.79 3gtm h THR 783 Ca -0.27 -2.98 0.00 0.00 -0.55 0.00 0.00 66.41 62.61 3gtm h THR 783 Cb 1.27 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 70.44 3gtm h THR 783 CO 0.33 0.82 0.00 -0.46 -0.25 0.00 0.00 175.52 175.96 3gtm n ASN 784 N -3.37 0.28 0.13 5.36 6.94 -1.26 -3.89 115.26 119.44 3gtm n ASN 784 Ca -0.11 -0.96 0.09 0.00 -0.02 0.00 0.00 54.58 53.57 3gtm n ASN 784 Cb 1.02 -0.14 0.57 0.00 -2.36 0.00 0.00 39.78 38.87 3gtm n ASN 784 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 3gtm h TYR 785 N 0.30 0.18 0.00 -2.53 -0.00 -1.95 0.92 116.97 113.89 3gtm h TYR 785 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3gtm h TYR 785 Cb 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 36.73 36.81 3gtm h TYR 785 CO 0.00 0.11 0.00 -1.71 -0.00 0.00 0.00 178.16 176.56 3gtm n ASN 786 N -4.50 0.00 -0.01 0.10 5.15 -1.25 -3.60 115.26 111.15 3gtm n ASN 786 Ca 0.01 -0.32 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 3gtm n ASN 786 Cb 0.16 -0.19 -0.02 0.00 -0.53 0.00 0.00 39.78 39.20 3gtm n ASN 786 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3gtm n VAL 787 N -1.19 0.09 -1.59 3.44 0.31 0.22 -5.03 118.33 114.59 3gtm n VAL 787 Ca 0.14 -0.10 -0.30 0.00 -0.01 0.00 0.00 64.34 64.08 3gtm n VAL 787 Cb 0.16 -0.17 0.20 0.00 -0.91 0.00 0.00 33.84 33.12 3gtm n VAL 787 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3gtm s ARG 788 N -2.16 0.10 -0.25 5.55 0.52 -0.64 -5.03 118.95 117.03 3gtm s ARG 788 Ca -0.01 -0.19 0.23 0.00 -0.52 0.00 0.00 55.73 55.23 3gtm s ARG 788 Cb 0.02 -1.76 0.50 0.00 0.52 0.00 0.00 34.95 34.23 3gtm s ARG 788 CO 0.13 -2.81 1.13 -1.33 0.02 0.00 0.00 175.30 172.44 3gtm n MET 789 N -4.10 1.63 -2.55 3.54 2.81 -1.26 -5.01 117.12 112.18 3gtm n MET 789 Ca 0.13 -3.35 -0.36 0.00 -1.81 0.00 0.00 57.70 52.31 3gtm n MET 789 Cb 0.59 -1.46 -0.04 0.00 -0.71 0.00 0.00 33.22 31.61 3gtm n MET 789 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 3gtm s ASP 790 N -3.63 6.61 -0.13 7.83 3.84 -1.26 -4.84 116.67 125.09 3gtm s ASP 790 Ca 0.27 2.00 -0.29 0.00 -0.00 0.00 0.00 52.55 54.52 3gtm s ASP 790 Cb 0.33 -2.58 -0.04 0.00 -1.38 0.00 0.00 42.92 39.25 3gtm s ASP 790 CO -0.05 -0.59 1.67 0.42 -0.00 0.00 0.00 175.17 176.61 3gtm s THR 791 N -1.78 3.60 0.29 2.11 -4.23 -1.26 -4.23 115.64 110.15 3gtm s THR 791 Ca 0.61 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.83 3gtm s THR 791 Cb -0.20 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.10 3gtm s THR 791 CO 0.25 -0.16 0.00 0.23 -0.54 0.00 0.00 174.62 174.40 3gtm n MET 792 N 7.43 -1.96 0.00 3.99 0.00 -1.00 -4.89 117.12 120.70 3gtm n MET 792 Ca 0.19 1.53 0.00 0.00 0.00 0.00 0.00 57.70 59.42 3gtm n MET 792 Cb 0.44 -1.96 0.00 0.00 0.00 0.00 0.00 33.22 31.70 3gtm n MET 792 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3gtm n ALA 793 N -2.24 0.00 -2.77 3.04 0.00 -1.11 -4.88 120.51 112.55 3gtm n ALA 793 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.12 3gtm n ALA 793 Cb 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.64 3gtm n ALA 793 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3gtm s ASN 794 N 0.00 5.49 -0.12 0.00 0.01 -1.26 -2.01 114.94 117.05 3gtm s ASN 794 Ca 0.00 -0.00 -0.10 0.00 -0.71 0.00 0.00 52.86 52.05 3gtm s ASN 794 Cb 0.00 -1.47 0.04 0.00 0.41 0.00 0.00 41.25 40.22 3gtm s ASN 794 CO 0.00 0.19 0.32 -0.63 -1.51 0.00 0.00 177.10 175.46 3gtm s ILE 795 N -1.35 -0.01 -0.14 0.60 1.09 -1.16 -4.56 121.20 115.67 3gtm s ILE 795 Ca 0.28 0.04 -0.28 0.00 -1.10 0.00 0.00 60.65 59.59 3gtm s ILE 795 Cb -0.12 -0.46 -0.01 0.00 -1.06 0.00 0.00 42.46 40.81 3gtm s ILE 795 CO 0.20 0.02 0.96 -0.22 -0.10 0.00 0.00 174.94 175.80 3gtm s LEU 796 N 0.58 4.21 0.19 2.97 2.96 -1.23 -0.48 118.68 127.88 3gtm s LEU 796 Ca -0.03 1.41 -0.21 0.00 -0.22 0.00 0.00 54.13 55.07 3gtm s LEU 796 Cb -0.05 -3.46 0.12 0.00 0.50 0.00 0.00 46.19 43.30 3gtm s LEU 796 CO -0.03 -0.46 1.57 1.88 -1.32 0.00 0.00 176.35 177.99 3gtm h TYR 797 N 7.20 -1.08 -2.88 5.38 -1.99 -0.43 -3.30 116.97 119.87 3gtm h TYR 797 Ca -0.29 0.08 -0.61 0.00 2.00 0.00 0.00 58.73 59.91 3gtm h TYR 797 Cb 1.13 0.57 -0.40 0.00 2.00 0.00 0.00 36.73 40.03 3gtm h TYR 797 CO 0.72 -0.40 -0.74 0.71 -0.00 0.00 0.00 178.16 178.45 3gtm s TYR 798 N -5.93 2.33 0.68 4.88 2.02 -1.26 -5.08 117.35 114.99 3gtm s TYR 798 Ca -0.14 -2.73 -0.15 0.00 -0.37 0.00 0.00 57.07 53.67 3gtm s TYR 798 Cb 0.16 -1.95 0.01 0.00 -0.40 0.00 0.00 41.96 39.79 3gtm s TYR 798 CO 0.69 -0.71 1.16 -1.25 -1.57 0.00 0.00 175.55 173.87 3gtm s PRO 799 N -0.35 2.53 -0.04 -1.71 0.04 -1.25 -4.92 135.00 129.31 3gtm s PRO 799 Ca 0.24 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.88 3gtm s PRO 799 Cb -0.11 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.56 3gtm s PRO 799 CO -0.11 -1.50 -0.01 -0.65 0.04 0.00 0.00 177.00 174.77 3gtm s GLN 800 N -3.92 0.47 -0.10 4.56 -0.21 -0.99 -5.03 119.66 114.44 3gtm s GLN 800 Ca 0.71 0.03 -0.29 0.00 0.02 0.00 0.00 55.36 55.83 3gtm s GLN 800 Cb -0.25 -0.61 -0.04 0.00 1.00 0.00 0.00 33.01 33.11 3gtm s GLN 800 CO 0.42 -0.13 1.48 -1.59 -2.12 0.00 0.00 175.29 173.35 3gtm s LYS 801 N 1.05 4.21 0.75 2.91 -2.85 -1.26 -4.50 119.74 120.05 3gtm s LYS 801 Ca -0.09 1.96 -0.16 0.00 -1.00 0.00 0.00 55.97 56.68 3gtm s LYS 801 Cb -0.14 -3.88 -0.02 0.00 -2.06 0.00 0.00 37.83 31.73 3gtm s LYS 801 CO -0.01 -0.78 0.56 -0.35 0.10 0.00 0.00 175.35 174.87 3gtm n PRO 802 N 6.84 0.25 0.06 1.78 -0.04 -1.26 -4.90 135.00 137.72 3gtm n PRO 802 Ca 0.16 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.86 3gtm n PRO 802 Cb 0.44 -1.87 0.18 0.00 -0.04 0.00 0.00 33.50 32.21 3gtm n PRO 802 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3gtm n LEU 803 N -0.57 0.70 -4.05 1.53 4.77 -1.26 -4.68 117.00 113.44 3gtm n LEU 803 Ca 0.10 0.24 -0.32 0.00 -0.03 0.00 0.00 56.01 56.00 3gtm n LEU 803 Cb 0.50 -0.19 -0.15 0.00 -2.33 0.00 0.00 43.42 41.25 3gtm n LEU 803 CO 0.50 -0.06 -0.46 -0.83 -1.33 0.00 0.00 177.39 175.21 3gtm s GLY 804 N -3.64 1.54 0.09 -0.72 0.00 -1.26 -2.57 107.32 100.75 3gtm s GLY 804 Ca 0.07 -1.60 0.05 0.00 0.00 0.00 0.00 44.72 43.24 3gtm s GLY 804 CO 0.71 0.63 -0.13 -0.51 0.00 0.00 0.00 173.10 173.81 3gtm s THR 805 N 1.19 1.09 0.21 0.90 -4.23 -0.89 -4.82 115.64 109.09 3gtm s THR 805 Ca -0.06 -1.44 -0.11 0.00 -1.18 0.00 0.00 61.69 58.89 3gtm s THR 805 Cb -0.19 -1.20 -0.07 0.00 1.34 0.00 0.00 72.50 72.39 3gtm s THR 805 CO -0.06 -0.34 0.55 -0.89 -0.54 0.00 0.00 174.62 173.34 3gtm s THR 806 N -1.69 4.91 0.56 3.99 2.01 -1.26 -1.37 115.64 122.79 3gtm s THR 806 Ca 0.01 0.58 0.29 0.00 0.31 0.00 0.00 61.69 62.89 3gtm s THR 806 Cb -0.08 -3.65 0.34 0.00 0.01 0.00 0.00 72.50 69.13 3gtm s THR 806 CO 0.02 0.02 2.23 0.03 -0.69 0.00 0.00 174.62 176.23 3gtm h ARG 807 N 2.84 0.00 0.00 4.92 2.47 -1.93 -0.95 114.38 121.73 3gtm h ARG 807 Ca -0.47 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.23 3gtm h ARG 807 Cb 1.18 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.49 3gtm h ARG 807 CO 0.68 0.02 -0.05 0.00 0.56 0.00 0.00 179.97 181.18 3gtm h ALA 808 N 1.98 1.07 0.00 0.04 0.00 -1.92 -2.87 119.26 117.56 3gtm h ALA 808 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gtm h ALA 808 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3gtm h ALA 808 CO 0.00 0.07 0.00 -1.33 0.00 0.00 0.00 179.25 177.99 3gtm n MET 809 N -3.26 0.23 0.02 0.00 2.81 -0.36 -2.36 117.12 114.19 3gtm n MET 809 Ca -0.01 0.22 0.08 0.00 -1.81 0.00 0.00 57.70 56.18 3gtm n MET 809 Cb 0.25 -1.78 0.33 0.00 -0.71 0.00 0.00 33.22 31.31 3gtm n MET 809 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 3gtm n GLU 810 N -2.18 0.03 0.00 0.03 2.13 -1.08 -2.17 120.64 117.39 3gtm n GLU 810 Ca 0.05 0.28 0.04 0.00 0.66 0.00 0.00 57.16 58.20 3gtm n GLU 810 Cb 0.39 -1.56 -0.03 0.00 0.27 0.00 0.00 31.44 30.51 3gtm n GLU 810 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3gtm n TYR 811 N -1.61 0.00 -0.69 4.31 4.02 -1.00 -4.18 117.16 118.01 3gtm n TYR 811 Ca 0.03 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.00 3gtm n TYR 811 Cb 0.18 0.00 0.26 0.00 -0.02 0.00 0.00 39.34 39.76 3gtm n TYR 811 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3gtm n LEU 812 N -0.86 3.93 -4.01 7.72 4.77 -0.92 -4.97 117.00 122.66 3gtm n LEU 812 Ca 0.02 -2.62 -0.35 0.00 -0.03 0.00 0.00 56.01 53.03 3gtm n LEU 812 Cb 0.16 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.77 3gtm n LEU 812 CO 0.16 0.71 -0.22 0.29 -1.33 0.00 0.00 177.39 177.00 3gtm n LYS 813 N 0.17 -1.27 -0.07 3.23 4.76 -0.95 -4.87 118.16 119.17 3gtm n LYS 813 Ca 0.20 0.24 -0.22 0.00 -2.87 0.00 0.00 58.31 55.66 3gtm n LYS 813 Cb 0.79 -3.54 -0.12 0.00 -1.84 0.00 0.00 35.03 30.31 3gtm n LYS 813 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3gtm n PHE 814 N -4.62 1.05 0.53 2.13 7.35 -1.12 -2.87 117.46 119.91 3gtm n PHE 814 Ca -0.19 0.37 0.05 0.00 -0.76 0.00 0.00 57.45 56.91 3gtm n PHE 814 Cb 0.62 -1.12 0.27 0.00 0.35 0.00 0.00 39.48 39.60 3gtm n PHE 814 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3gtm n ARG 815 N -4.12 0.21 -0.07 -4.13 1.74 -1.26 -1.47 116.66 107.56 3gtm n ARG 815 Ca -0.33 0.12 -0.08 0.00 -0.77 0.00 0.00 57.85 56.79 3gtm n ARG 815 Cb 0.81 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.65 3gtm n ARG 815 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3gtm n GLU 816 N -1.17 1.41 -3.43 5.56 4.71 -1.25 -4.82 120.64 121.65 3gtm n GLU 816 Ca 0.06 0.03 -0.27 0.00 -0.01 0.00 0.00 57.16 56.97 3gtm n GLU 816 Cb 0.06 -1.34 -0.10 0.00 -1.01 0.00 0.00 31.44 29.05 3gtm n GLU 816 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3gtm n LEU 817 N -2.64 0.01 -4.74 -4.62 4.77 -0.79 -5.07 117.00 103.91 3gtm n LEU 817 Ca -0.24 -4.51 -0.29 0.00 -0.03 0.00 0.00 56.01 50.95 3gtm n LEU 817 Cb 0.89 0.40 0.15 0.00 -2.33 0.00 0.00 43.42 42.53 3gtm n LEU 817 CO 0.24 1.87 0.69 -2.16 -1.33 0.00 0.00 177.39 176.70 3gtm s PRO 818 N -0.26 0.78 -0.26 3.23 0.04 -0.54 -4.64 135.00 133.35 3gtm s PRO 818 Ca 0.32 0.33 -0.02 0.00 0.04 0.00 0.00 61.00 61.67 3gtm s PRO 818 Cb 0.04 -1.79 -0.15 0.00 0.04 0.00 0.00 34.50 32.64 3gtm s PRO 818 CO -0.19 -2.45 -0.26 0.00 0.04 0.00 0.00 177.00 174.15 3gtm n ALA 819 N -3.95 1.40 -2.68 8.56 0.00 -1.26 -3.66 120.51 118.92 3gtm n ALA 819 Ca 0.06 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.42 3gtm n ALA 819 Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3gtm n ALA 819 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gtm n GLY 820 N 2.02 3.97 3.58 0.00 0.00 -1.26 -3.86 105.19 109.64 3gtm n GLY 820 Ca -0.47 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 3gtm n GLY 820 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gtm s GLN 821 N 3.55 0.78 0.20 1.61 -0.21 -0.41 -2.35 119.66 122.84 3gtm s GLN 821 Ca 0.00 0.92 -0.31 0.00 0.02 0.00 0.00 55.36 56.00 3gtm s GLN 821 Cb 0.00 0.38 -0.09 0.00 1.00 0.00 0.00 33.01 34.30 3gtm s GLN 821 CO 0.00 -0.09 1.43 -0.80 -2.12 0.00 0.00 175.29 173.70 3gtm s ASN 822 N 0.34 6.72 -0.01 5.90 0.01 -1.26 -1.29 114.94 125.35 3gtm s ASN 822 Ca -0.00 2.54 0.01 0.00 -0.71 0.00 0.00 52.86 54.70 3gtm s ASN 822 Cb -0.05 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.01 3gtm s ASN 822 CO 0.01 -0.68 -0.04 0.00 -1.51 0.00 0.00 177.10 174.88 3gtm s ALA 823 N 0.43 0.39 -0.43 0.60 0.00 -1.14 -4.91 121.76 116.70 3gtm s ALA 823 Ca 0.62 -0.12 -0.28 0.00 0.00 0.00 0.00 51.96 52.17 3gtm s ALA 823 Cb -0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 3gtm s ALA 823 CO 0.38 0.06 1.73 0.42 0.00 0.00 0.00 175.76 178.35 3gtm s ILE 824 N 0.16 3.53 -0.17 0.00 -1.09 -1.26 -0.88 121.20 121.49 3gtm s ILE 824 Ca -0.01 0.49 -0.02 0.00 -2.23 0.00 0.00 60.65 58.88 3gtm s ILE 824 Cb -0.05 -3.85 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 3gtm s ILE 824 CO -0.00 -0.63 -0.09 -0.69 -1.23 0.00 0.00 174.94 172.30 3gtm s VAL 825 N 7.17 3.22 -0.30 2.92 1.01 0.64 -0.67 120.40 134.39 3gtm s VAL 825 Ca 0.72 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 3gtm s VAL 825 Cb -0.18 -2.41 0.03 0.00 0.00 0.00 0.00 36.38 33.82 3gtm s VAL 825 CO 0.30 0.48 0.06 0.00 0.00 0.00 0.00 175.10 175.94 3gtm s ALA 826 N 0.87 2.97 -0.96 5.51 0.00 0.59 -3.14 121.76 127.60 3gtm s ALA 826 Ca -0.02 -1.60 -0.24 0.00 0.00 0.00 0.00 51.96 50.09 3gtm s ALA 826 Cb -0.15 -2.10 0.04 0.00 0.00 0.00 0.00 23.12 20.92 3gtm s ALA 826 CO 0.01 -1.11 1.43 0.42 0.00 0.00 0.00 175.76 176.51 3gtm s ILE 827 N 1.40 3.87 -0.04 0.00 1.01 -1.07 -2.28 121.20 124.09 3gtm s ILE 827 Ca -0.00 -0.51 -0.21 0.00 0.00 0.00 0.00 60.65 59.93 3gtm s ILE 827 Cb -0.18 -5.00 0.04 0.00 0.01 0.00 0.00 42.46 37.32 3gtm s ILE 827 CO 0.01 -1.90 0.46 0.00 0.00 0.00 0.00 174.94 173.51 3gtm s ALA 828 N 5.26 -1.17 -0.37 9.38 0.00 -0.83 -4.21 121.76 129.82 3gtm s ALA 828 Ca 0.44 0.75 -0.25 0.00 0.00 0.00 0.00 51.96 52.90 3gtm s ALA 828 Cb -0.02 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.12 3gtm s ALA 828 CO -0.05 -0.30 0.89 0.00 0.00 0.00 0.00 175.76 176.31 3gtm n TYR 830 N 6.68 0.00 -0.43 0.00 9.36 -1.26 -4.90 117.16 126.61 3gtm n TYR 830 Ca 0.06 0.00 0.35 0.00 3.32 0.00 0.00 57.90 61.63 3gtm n TYR 830 Cb 0.48 0.00 0.63 0.00 -0.63 0.00 0.00 39.34 39.82 3gtm n TYR 830 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3gtm h SER 831 N 0.00 0.27 0.00 2.98 4.64 -1.98 -3.44 113.55 116.02 3gtm h SER 831 Ca 0.00 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3gtm h SER 831 Cb 0.00 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3gtm h SER 831 CO 0.00 -0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.43 3gtm n GLY 832 N -1.52 1.16 0.65 -0.77 0.00 -1.26 -4.97 105.19 98.48 3gtm n GLY 832 Ca 0.35 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.49 3gtm n GLY 832 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gtm n TYR 833 N -1.59 0.00 -0.86 1.61 4.02 -1.26 -4.20 117.16 114.88 3gtm n TYR 833 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.97 3gtm n TYR 833 Cb 0.00 -0.01 0.39 0.00 -0.02 0.00 0.00 39.34 39.71 3gtm n TYR 833 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3gtm n ASN 834 N 0.46 5.52 -4.84 7.72 6.94 -1.26 -4.31 115.26 125.49 3gtm n ASN 834 Ca 0.12 -2.85 -0.33 0.00 -0.02 0.00 0.00 54.58 51.50 3gtm n ASN 834 Cb 0.50 -0.66 -0.06 0.00 -2.36 0.00 0.00 39.78 37.20 3gtm n ASN 834 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3gtm s GLN 835 N -2.60 4.08 -0.72 -3.83 -0.21 -1.26 -3.83 119.66 111.29 3gtm s GLN 835 Ca 0.54 0.85 -0.08 0.00 0.02 0.00 0.00 55.36 56.68 3gtm s GLN 835 Cb 0.40 -2.32 0.01 0.00 1.00 0.00 0.00 33.01 32.11 3gtm s GLN 835 CO 0.17 0.05 0.63 0.39 -2.12 0.00 0.00 175.29 174.42 3gtm n GLU 836 N -0.58 -1.63 -3.14 2.91 1.02 -1.26 -3.49 120.64 114.48 3gtm n GLU 836 Ca 0.05 1.05 -0.13 0.00 -0.02 0.00 0.00 57.16 58.12 3gtm n GLU 836 Cb 0.54 -2.88 0.06 0.00 -0.02 0.00 0.00 31.44 29.13 3gtm n GLU 836 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3gtm n ASP 837 N -1.93 -6.55 -3.50 1.62 8.00 -1.26 -5.00 116.55 107.92 3gtm n ASP 837 Ca -0.21 -0.60 -0.14 0.00 0.71 0.00 0.00 54.79 54.55 3gtm n ASP 837 Cb 0.66 -5.00 -0.04 0.00 -0.02 0.00 0.00 41.12 36.72 3gtm n ASP 837 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3gtm s SER 838 N -3.32 -0.54 0.02 -2.24 1.04 -1.23 -3.28 113.70 104.15 3gtm s SER 838 Ca 0.39 0.36 -0.00 0.00 0.48 0.00 0.00 55.95 57.17 3gtm s SER 838 Cb -0.05 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 3gtm s SER 838 CO 0.70 -0.66 -0.02 0.00 0.98 0.00 0.00 173.24 174.25 3gtm s MET 839 N -2.14 0.34 0.09 4.02 0.23 -0.55 -4.03 119.30 117.26 3gtm s MET 839 Ca -0.04 -0.65 -0.30 0.00 -1.03 0.00 0.00 55.69 53.67 3gtm s MET 839 Cb -0.00 0.12 -0.05 0.00 -1.53 0.00 0.00 34.83 33.36 3gtm s MET 839 CO -0.00 -0.06 0.96 0.42 -2.03 0.00 0.00 175.02 174.30 3gtm s ILE 840 N -1.66 4.57 -0.12 3.16 1.01 -1.17 -2.17 121.20 124.82 3gtm s ILE 840 Ca -0.14 2.06 0.02 0.00 0.00 0.00 0.00 60.65 62.58 3gtm s ILE 840 Cb -0.08 -4.32 0.01 0.00 0.01 0.00 0.00 42.46 38.08 3gtm s ILE 840 CO -0.02 0.29 -0.17 -0.32 0.00 0.00 0.00 174.94 174.73 3gtm s MET 841 N 0.16 2.40 -0.05 2.79 1.75 -1.12 -1.22 119.30 124.02 3gtm s MET 841 Ca 0.47 -0.62 -0.32 0.00 -1.25 0.00 0.00 55.69 53.97 3gtm s MET 841 Cb -0.23 -2.03 -0.10 0.00 2.84 0.00 0.00 34.83 35.31 3gtm s MET 841 CO 0.29 -0.07 1.95 -1.71 -0.65 0.00 0.00 175.02 174.83 3gtm n ASN 842 N 4.23 3.73 0.01 1.11 5.15 -0.78 -3.47 115.26 125.26 3gtm n ASN 842 Ca -0.19 0.90 -0.05 0.00 -0.60 0.00 0.00 54.58 54.63 3gtm n ASN 842 Cb 0.51 -1.44 0.16 0.00 -0.53 0.00 0.00 39.78 38.47 3gtm n ASN 842 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 3gtm h GLN 843 N 10.16 0.49 -0.86 1.20 5.75 0.21 -2.23 115.11 129.83 3gtm h GLN 843 Ca -0.48 -0.22 0.01 0.00 -0.15 0.00 0.00 58.65 57.81 3gtm h GLN 843 Cb 1.26 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.75 3gtm h GLN 843 CO 0.95 0.77 0.57 0.77 -2.65 0.00 0.00 178.83 179.24 3gtm h SER 844 N 0.42 0.98 0.33 -0.69 0.02 -1.90 0.37 113.55 113.06 3gtm h SER 844 Ca 0.05 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.83 3gtm h SER 844 Cb 0.80 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3gtm h SER 844 CO 0.07 0.70 -0.59 0.77 -1.14 0.00 0.00 176.83 176.64 3gtm h SER 845 N 1.15 0.30 -0.94 3.07 4.64 -1.91 0.75 113.55 120.62 3gtm h SER 845 Ca 0.32 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 3gtm h SER 845 Cb -0.11 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 61.85 3gtm h SER 845 CO -0.08 0.82 0.55 0.40 -0.87 0.00 0.00 176.83 177.65 3gtm h ILE 846 N 0.20 1.26 0.42 0.95 2.04 -0.63 0.19 117.51 121.95 3gtm h ILE 846 Ca -0.00 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 3gtm h ILE 846 Cb 1.09 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3gtm h ILE 846 CO 0.09 0.28 -0.20 0.44 0.00 0.00 0.00 178.15 178.76 3gtm h ASP 847 N 1.30 -0.48 0.00 1.72 3.32 -0.05 -2.57 116.42 119.67 3gtm h ASP 847 Ca 0.33 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3gtm h ASP 847 Cb -0.03 0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3gtm h ASP 847 CO -0.06 -0.23 0.00 0.54 -1.72 0.00 0.00 179.24 177.77 3gtm n ARG 848 N -5.27 0.01 0.00 3.56 1.74 0.23 -4.77 116.66 112.17 3gtm n ARG 848 Ca -0.11 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 3gtm n ARG 848 Cb 0.27 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 3gtm n ARG 848 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gtm n GLY 849 N -1.48 1.97 3.77 -0.13 0.00 0.06 -5.05 105.19 104.33 3gtm n GLY 849 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3gtm n GLY 849 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gtm s LEU 850 N 0.00 4.09 -1.52 0.99 2.96 0.45 -3.85 118.68 121.81 3gtm s LEU 850 Ca 0.00 2.25 -0.12 0.00 -0.22 0.00 0.00 54.13 56.04 3gtm s LEU 850 Cb 0.00 -4.17 0.12 0.00 0.50 0.00 0.00 46.19 42.64 3gtm s LEU 850 CO 0.00 -0.75 0.31 0.49 -1.32 0.00 0.00 176.35 175.08 3gtm n PHE 851 N -0.25 -1.04 -2.92 5.38 3.01 -1.26 -4.68 117.46 115.70 3gtm n PHE 851 Ca 0.06 0.57 -0.35 0.00 1.01 0.00 0.00 57.45 58.74 3gtm n PHE 851 Cb 0.48 -1.94 -0.06 0.00 -0.01 0.00 0.00 39.48 37.95 3gtm n PHE 851 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3gtm s ARG 852 N -6.57 4.35 -0.07 -1.08 0.52 -1.25 -4.18 118.95 110.68 3gtm s ARG 852 Ca 0.43 1.08 -0.06 0.00 -0.52 0.00 0.00 55.73 56.66 3gtm s ARG 852 Cb -0.25 -2.65 0.02 0.00 0.52 0.00 0.00 34.95 32.58 3gtm s ARG 852 CO 0.88 0.24 0.18 -1.54 0.02 0.00 0.00 175.30 175.08 3gtm s SER 853 N -1.82 -0.19 0.64 0.23 1.04 -1.01 0.38 113.70 112.98 3gtm s SER 853 Ca 0.51 0.36 -0.11 0.00 0.48 0.00 0.00 55.95 57.19 3gtm s SER 853 Cb -0.15 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 3gtm s SER 853 CO 0.20 -0.07 1.05 -0.76 0.98 0.00 0.00 173.24 174.64 3gtm s LEU 854 N 0.16 3.15 -0.05 2.42 1.43 0.37 -0.47 118.68 125.69 3gtm s LEU 854 Ca -0.01 1.35 -0.02 0.00 -1.03 0.00 0.00 54.13 54.43 3gtm s LEU 854 Cb -0.02 -4.34 0.03 0.00 0.03 0.00 0.00 46.19 41.90 3gtm s LEU 854 CO -0.00 -1.00 0.07 0.12 0.23 0.00 0.00 176.35 175.77 3gtm s PHE 855 N -3.22 0.03 -0.35 0.29 5.36 0.25 -2.99 117.98 117.36 3gtm s PHE 855 Ca 0.56 0.29 0.04 0.00 -0.96 0.00 0.00 56.93 56.86 3gtm s PHE 855 Cb -0.11 -0.46 0.10 0.00 -0.34 0.00 0.00 43.02 42.21 3gtm s PHE 855 CO 0.53 -0.21 0.07 -0.06 -1.46 0.00 0.00 175.22 174.10 3gtm s PHE 856 N 2.18 3.64 0.04 10.12 0.40 -0.85 -0.19 117.98 133.33 3gtm s PHE 856 Ca 0.05 -2.97 -0.00 0.00 -0.60 0.00 0.00 56.93 53.40 3gtm s PHE 856 Cb -0.12 -2.87 -0.04 0.00 0.51 0.00 0.00 43.02 40.50 3gtm s PHE 856 CO -0.03 -0.93 0.17 0.50 0.70 0.00 0.00 175.22 175.62 3gtm s ARG 857 N 0.83 3.30 -0.09 0.44 3.52 -0.83 -2.38 118.95 123.74 3gtm s ARG 857 Ca 0.11 -0.46 0.01 0.00 -0.13 0.00 0.00 55.73 55.27 3gtm s ARG 857 Cb -0.19 -2.98 0.02 0.00 -1.56 0.00 0.00 34.95 30.23 3gtm s ARG 857 CO -0.08 0.62 -0.11 -1.54 -0.81 0.00 0.00 175.30 173.38 3gtm s SER 858 N -2.26 2.07 -0.12 -2.12 1.04 -1.26 -1.01 113.70 110.04 3gtm s SER 858 Ca 0.31 -0.33 -0.06 0.00 0.48 0.00 0.00 55.95 56.35 3gtm s SER 858 Cb -0.13 -0.89 -0.04 0.00 0.10 0.00 0.00 66.02 65.06 3gtm s SER 858 CO 0.23 -0.02 0.11 -0.31 0.98 0.00 0.00 173.24 174.22 3gtm s TYR 859 N 1.10 3.49 0.06 5.02 1.51 0.11 -4.69 117.35 123.95 3gtm s TYR 859 Ca -0.06 0.44 0.02 0.00 -1.01 0.00 0.00 57.07 56.47 3gtm s TYR 859 Cb -0.14 -1.91 -0.03 0.00 -0.11 0.00 0.00 41.96 39.76 3gtm s TYR 859 CO -0.02 0.66 -0.08 1.41 -1.11 0.00 0.00 175.55 176.41 3gtm s MET 860 N -0.93 0.64 0.10 -0.62 1.75 -1.26 0.50 119.30 119.47 3gtm s MET 860 Ca 0.14 -0.93 -0.25 0.00 -1.25 0.00 0.00 55.69 53.40 3gtm s MET 860 Cb -0.12 -0.33 0.08 0.00 2.84 0.00 0.00 34.83 37.30 3gtm s MET 860 CO 0.03 0.05 0.69 0.34 -0.65 0.00 0.00 175.02 175.48 3gtm s ASP 861 N -1.97 -0.51 0.11 1.11 -1.08 -0.32 -5.00 116.67 109.00 3gtm s ASP 861 Ca -0.04 0.03 0.02 0.00 -0.52 0.00 0.00 52.55 52.05 3gtm s ASP 861 Cb -0.06 0.53 -0.04 0.00 -1.46 0.00 0.00 42.92 41.89 3gtm s ASP 861 CO -0.01 -0.85 -0.08 -1.10 0.52 0.00 0.00 175.17 173.66 3gtm s GLN 862 N -3.44 0.87 -0.31 4.34 -0.21 -1.26 -1.05 119.66 118.60 3gtm s GLN 862 Ca 0.02 -1.32 -0.13 0.00 0.02 0.00 0.00 55.36 53.95 3gtm s GLN 862 Cb -0.01 -0.32 -0.03 0.00 1.00 0.00 0.00 33.01 33.65 3gtm s GLN 862 CO -0.11 0.01 0.29 -1.21 -2.12 0.00 0.00 175.29 172.15 3gtm s GLU 863 N -3.62 3.75 -0.29 2.91 2.02 -0.71 -4.98 118.70 117.78 3gtm s GLU 863 Ca 0.11 -0.34 -0.11 0.00 0.02 0.00 0.00 54.97 54.65 3gtm s GLU 863 Cb 0.03 -3.73 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 3gtm s GLU 863 CO -0.03 -0.36 0.18 0.15 0.02 0.00 0.00 175.26 175.23 3gtm s LYS 864 N 1.89 3.80 1.03 1.61 1.02 -1.26 -4.60 119.74 123.23 3gtm s LYS 864 Ca 0.10 -0.42 -0.16 0.00 0.02 0.00 0.00 55.97 55.51 3gtm s LYS 864 Cb -0.16 -3.65 0.21 0.00 -0.52 0.00 0.00 37.83 33.71 3gtm s LYS 864 CO 0.11 -0.25 1.20 0.21 -0.92 0.00 0.00 175.35 175.70 3gtm s LYS 865 N 1.73 0.13 0.09 1.68 2.20 -1.26 -3.48 119.74 120.82 3gtm s LYS 865 Ca 0.07 -0.10 0.04 0.00 -0.36 0.00 0.00 55.97 55.62 3gtm s LYS 865 Cb -0.16 -1.76 -0.03 0.00 -1.51 0.00 0.00 37.83 34.37 3gtm s LYS 865 CO 0.10 -2.81 -0.10 0.71 -0.36 0.00 0.00 175.35 172.89 3gtm s TYR 866 N -3.41 1.04 -1.97 4.03 1.51 -1.26 -4.88 117.35 112.40 3gtm s TYR 866 Ca 0.70 -0.61 0.05 0.00 -1.01 0.00 0.00 57.07 56.19 3gtm s TYR 866 Cb -0.09 -0.57 0.27 0.00 -0.11 0.00 0.00 41.96 41.46 3gtm s TYR 866 CO 0.54 -0.00 0.76 0.41 -1.11 0.00 0.00 175.55 176.14 3gtm n GLY 867 N 0.76 -0.16 2.32 0.71 0.00 -1.26 -0.67 105.19 106.89 3gtm n GLY 867 Ca -0.18 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 3gtm n GLY 867 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3gtm n MET 868 N -1.01 2.31 -3.58 1.61 2.81 -1.26 -5.04 117.12 112.96 3gtm n MET 868 Ca 0.03 -3.64 -0.22 0.00 -1.81 0.00 0.00 57.70 52.06 3gtm n MET 868 Cb 0.02 -1.75 0.01 0.00 -0.71 0.00 0.00 33.22 30.79 3gtm n MET 868 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3gtm n SER 869 N -0.59 -5.58 -3.22 7.83 7.64 0.16 -4.97 113.62 114.89 3gtm n SER 869 Ca 0.21 -0.61 -0.24 0.00 1.01 0.00 0.00 58.87 59.24 3gtm n SER 869 Cb 0.88 -2.42 -0.07 0.00 -1.01 0.00 0.00 64.21 61.59 3gtm n SER 869 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3gtm n ILE 870 N -1.94 -0.28 -1.40 0.44 5.41 -1.26 -4.92 119.36 115.41 3gtm n ILE 870 Ca -0.21 -4.19 -0.29 0.00 1.00 0.00 0.00 62.75 59.06 3gtm n ILE 870 Cb 0.65 -1.91 0.12 0.00 -0.71 0.00 0.00 39.64 37.80 3gtm n ILE 870 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3gtm s THR 871 N -1.41 2.59 0.00 1.39 2.01 -1.26 -4.28 115.64 114.69 3gtm s THR 871 Ca 0.36 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.55 3gtm s THR 871 Cb 0.17 -2.83 0.00 0.00 0.01 0.00 0.00 72.50 69.85 3gtm s THR 871 CO -0.10 -0.25 0.00 -0.62 -0.69 0.00 0.00 174.62 172.96 3gtm n GLU 872 N -3.73 0.81 -3.64 4.92 1.02 -1.23 -4.62 120.64 114.17 3gtm n GLU 872 Ca 0.07 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.16 3gtm n GLU 872 Cb 0.57 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.92 3gtm n GLU 872 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3gtm s THR 873 N -0.05 -0.03 0.42 2.62 2.01 -0.46 -4.89 115.64 115.26 3gtm s THR 873 Ca 0.00 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 61.78 3gtm s THR 873 Cb 0.00 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.41 3gtm s THR 873 CO 0.00 0.00 0.98 -0.36 -0.69 0.00 0.00 174.62 174.55 3gtm s PHE 874 N 1.55 3.31 0.00 4.92 0.40 -1.26 0.13 117.98 127.03 3gtm s PHE 874 Ca -0.09 1.64 0.00 0.00 -0.60 0.00 0.00 56.93 57.87 3gtm s PHE 874 Cb -0.05 -2.94 0.00 0.00 0.51 0.00 0.00 43.02 40.54 3gtm s PHE 874 CO -0.18 -0.27 0.00 -0.85 0.70 0.00 0.00 175.22 174.62 3gtm n GLU 875 N -0.42 0.00 -3.16 0.44 0.28 0.14 -4.75 120.64 113.17 3gtm n GLU 875 Ca 0.06 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.63 3gtm n GLU 875 Cb 0.52 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.33 3gtm n GLU 875 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 3gtm s LYS 876 N -2.00 3.12 0.62 3.44 2.20 -1.21 -3.87 119.74 122.05 3gtm s LYS 876 Ca 0.00 -0.90 -0.11 0.00 -0.36 0.00 0.00 55.97 54.60 3gtm s LYS 876 Cb 0.00 -4.10 -0.04 0.00 -1.51 0.00 0.00 37.83 32.18 3gtm s LYS 876 CO 0.00 -1.22 1.03 -2.14 -0.36 0.00 0.00 175.35 172.66 3gtm s PRO 877 N 2.62 3.56 -0.30 4.03 0.02 -1.26 -5.07 135.00 138.59 3gtm s PRO 877 Ca 0.15 0.76 0.05 0.00 0.02 0.00 0.00 61.00 61.98 3gtm s PRO 877 Cb -0.19 -2.07 0.18 0.00 0.02 0.00 0.00 34.50 32.43 3gtm s PRO 877 CO 0.12 -0.60 0.52 1.14 -0.33 0.00 0.00 177.00 177.85 3gtm s GLN 878 N -5.16 0.54 1.89 5.54 1.03 -1.26 -5.10 119.66 117.14 3gtm s GLN 878 Ca 0.55 0.27 0.00 0.00 0.04 0.00 0.00 55.36 56.22 3gtm s GLN 878 Cb -0.11 -0.00 0.00 0.00 0.03 0.00 0.00 33.01 32.93 3gtm s GLN 878 CO 0.54 -1.06 0.00 0.54 -2.54 0.00 0.00 175.29 172.76 3gtm n ARG 879 N 5.26 0.00 -1.01 9.60 5.12 -1.26 -4.98 116.66 129.39 3gtm n ARG 879 Ca 0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 3gtm n ARG 879 Cb 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 3gtm n ARG 879 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3gtm n THR 880 N 0.00 -1.34 0.00 0.55 -1.04 -1.26 -4.34 114.28 106.84 3gtm n THR 880 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3gtm n THR 880 Cb 0.00 -2.68 0.00 0.00 -1.82 0.00 0.00 70.33 65.83 3gtm n THR 880 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3gtm n ASN 881 N -0.25 0.00 0.03 8.00 4.13 -1.26 -4.09 115.26 121.82 3gtm n ASN 881 Ca 0.00 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.05 3gtm n ASN 881 Cb 0.00 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.10 3gtm n ASN 881 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 3gtm h THR 882 N 0.00 0.78 0.00 3.41 2.02 -1.84 -3.48 112.91 113.80 3gtm h THR 882 Ca 0.00 -2.44 0.00 0.00 0.77 0.00 0.00 66.41 64.74 3gtm h THR 882 Cb 0.00 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 3gtm h THR 882 CO 0.00 0.87 0.00 0.18 0.37 0.00 0.00 175.52 176.94 3gtm n LEU 883 N -3.51 0.00 -4.68 2.58 4.77 -1.22 -4.89 117.00 110.05 3gtm n LEU 883 Ca -0.28 0.00 -0.52 0.00 -0.03 0.00 0.00 56.01 55.18 3gtm n LEU 883 Cb 1.06 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.09 3gtm n LEU 883 CO 0.47 0.00 1.29 0.54 -1.33 0.00 0.00 177.39 178.35 3gtm n ARG 884 N 0.00 1.59 -0.67 3.23 1.74 -1.26 -4.76 116.66 116.54 3gtm n ARG 884 Ca 0.00 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 3gtm n ARG 884 Cb 0.00 -2.32 0.00 0.00 -1.02 0.00 0.00 32.46 29.12 3gtm n ARG 884 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3gtm n MET 885 N 5.02 0.00 -4.31 5.56 2.81 -1.26 -2.13 117.12 122.81 3gtm n MET 885 Ca 0.23 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.83 3gtm n MET 885 Cb 0.21 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.67 3gtm n MET 885 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3gtm s LYS 886 N -0.20 2.21 0.03 0.03 -0.14 -1.26 -5.01 119.74 115.40 3gtm s LYS 886 Ca 0.00 -2.13 0.22 0.00 -1.36 0.00 0.00 55.97 52.70 3gtm s LYS 886 Cb 0.00 -1.83 -0.07 0.00 -1.68 0.00 0.00 37.83 34.25 3gtm s LYS 886 CO 0.00 -0.38 0.91 0.72 -0.76 0.00 0.00 175.35 175.84 3gtm n HIS 887 N -1.42 0.18 -1.36 3.18 8.25 -1.26 -4.99 115.22 117.80 3gtm n HIS 887 Ca -0.08 0.05 -0.29 0.00 -0.26 0.00 0.00 57.72 57.14 3gtm n HIS 887 Cb 0.66 -0.38 0.15 0.00 1.12 0.00 0.00 29.99 31.54 3gtm n HIS 887 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3gtm s GLY 888 N -3.69 1.58 -0.59 -1.41 0.00 -1.25 -4.95 107.32 97.01 3gtm s GLY 888 Ca 0.02 -0.38 -0.28 0.00 0.00 0.00 0.00 44.72 44.09 3gtm s GLY 888 CO 0.83 0.18 1.45 -1.59 0.00 0.00 0.00 173.10 173.97 3gtm s THR 889 N -3.11 3.72 -0.54 0.90 2.01 -1.26 -4.75 115.64 112.62 3gtm s THR 889 Ca 0.64 0.57 0.24 0.00 0.31 0.00 0.00 61.69 63.45 3gtm s THR 889 Cb -0.17 -4.45 0.25 0.00 0.01 0.00 0.00 72.50 68.15 3gtm s THR 889 CO 0.55 -1.24 1.72 -1.22 -0.69 0.00 0.00 174.62 173.75 3gtm n TYR 890 N 9.92 0.82 1.11 4.92 4.02 -1.26 -3.78 117.16 132.91 3gtm n TYR 890 Ca 0.12 0.30 0.07 0.00 -0.01 0.00 0.00 57.90 58.38 3gtm n TYR 890 Cb 0.49 -0.99 0.41 0.00 -0.02 0.00 0.00 39.34 39.23 3gtm n TYR 890 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3gtm n ASP 891 N -2.23 0.00 -0.30 7.72 8.00 -1.26 -1.87 116.55 126.61 3gtm n ASP 891 Ca 0.03 -0.68 0.13 0.00 0.71 0.00 0.00 54.79 54.98 3gtm n ASP 891 Cb 0.27 0.00 0.44 0.00 -0.02 0.00 0.00 41.12 41.81 3gtm n ASP 891 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gtm n LYS 892 N -0.89 1.06 -2.98 -1.24 5.02 -1.25 -4.88 118.16 113.00 3gtm n LYS 892 Ca 0.10 -0.60 -0.30 0.00 -2.02 0.00 0.00 58.31 55.50 3gtm n LYS 892 Cb 0.05 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 3gtm n LYS 892 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gtm s LEU 893 N -2.36 3.90 -0.05 -0.35 1.43 -0.78 -4.48 118.68 115.99 3gtm s LEU 893 Ca 0.29 1.05 -0.01 0.00 -1.03 0.00 0.00 54.13 54.42 3gtm s LEU 893 Cb 0.20 -3.91 -0.00 0.00 0.03 0.00 0.00 46.19 42.51 3gtm s LEU 893 CO 0.46 -0.34 -0.02 0.44 0.23 0.00 0.00 176.35 177.12 3gtm h ASP 894 N 1.42 0.00 0.00 2.29 3.32 -1.70 -3.49 116.42 118.27 3gtm h ASP 894 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3gtm h ASP 894 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3gtm h ASP 894 CO 0.64 0.24 0.00 -0.67 -1.72 0.00 0.00 179.24 177.74 3gtm n ASP 895 N -3.19 0.00 -0.15 6.45 2.03 -1.26 -4.91 116.55 115.52 3gtm n ASP 895 Ca -0.01 0.00 0.26 0.00 0.52 0.00 0.00 54.79 55.56 3gtm n ASP 895 Cb 0.04 0.00 0.70 0.00 -0.72 0.00 0.00 41.12 41.14 3gtm n ASP 895 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 3gtm h ASP 896 N 0.00 0.03 0.00 1.67 3.04 -1.94 -3.21 116.42 116.01 3gtm h ASP 896 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3gtm h ASP 896 Cb 0.00 -0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3gtm h ASP 896 CO 0.00 0.01 0.00 0.61 -2.04 0.00 0.00 179.24 177.82 3gtm n GLY 897 N -1.69 0.49 3.38 7.15 0.00 -1.26 -3.53 105.19 109.73 3gtm n GLY 897 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 3gtm n GLY 897 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtm s LEU 898 N 0.00 2.55 0.65 0.99 1.43 -1.26 -0.07 118.68 122.98 3gtm s LEU 898 Ca 0.00 -1.01 -0.11 0.00 -1.03 0.00 0.00 54.13 51.98 3gtm s LEU 898 Cb 0.00 -0.82 -0.02 0.00 0.03 0.00 0.00 46.19 45.38 3gtm s LEU 898 CO 0.00 -0.09 1.05 -0.63 0.23 0.00 0.00 176.35 176.91 3gtm s ILE 899 N -2.74 4.30 -0.11 -0.59 1.01 -1.25 -1.83 121.20 119.98 3gtm s ILE 899 Ca 0.24 0.75 -0.14 0.00 0.00 0.00 0.00 60.65 61.50 3gtm s ILE 899 Cb -0.03 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 3gtm s ILE 899 CO 0.09 -0.98 0.33 0.00 0.00 0.00 0.00 174.94 174.38 3gtm s ALA 900 N -3.23 3.63 0.51 9.38 0.00 -1.26 -4.91 121.76 125.88 3gtm s ALA 900 Ca 0.56 -0.39 0.44 0.00 0.00 0.00 0.00 51.96 52.58 3gtm s ALA 900 Cb -0.11 -2.37 1.63 0.00 0.00 0.00 0.00 23.12 22.26 3gtm s ALA 900 CO 0.53 0.23 1.52 -2.30 0.00 0.00 0.00 175.76 175.75 3gtm n PRO 901 N 2.99 -0.01 -0.04 0.00 -0.02 -1.26 -0.58 135.00 136.07 3gtm n PRO 901 Ca -0.13 1.11 -0.01 0.00 -2.02 0.00 0.00 63.50 62.45 3gtm n PRO 901 Cb 0.52 -2.44 0.26 0.00 -0.02 0.00 0.00 33.50 31.82 3gtm n PRO 901 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3gtm h GLY 902 N 0.00 0.67 -0.92 -1.23 0.00 -1.93 -3.33 103.07 96.34 3gtm h GLY 902 Ca 0.90 -0.40 -0.41 0.00 0.00 0.00 0.00 47.33 47.43 3gtm h GLY 902 CO -0.14 0.37 0.08 0.14 0.00 0.00 0.00 176.54 176.99 3gtm s VAL 903 N -5.02 1.49 -0.35 4.60 1.01 0.25 -4.79 120.40 117.59 3gtm s VAL 903 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 3gtm s VAL 903 Cb 0.15 -2.41 0.12 0.00 0.00 0.00 0.00 36.38 34.25 3gtm s VAL 903 CO 0.78 0.00 0.17 -0.60 0.00 0.00 0.00 175.10 175.45 3gtm s ARG 904 N -5.38 0.67 0.44 2.72 3.52 -1.26 -2.53 118.95 117.13 3gtm s ARG 904 Ca 0.71 -1.24 -0.19 0.00 -0.13 0.00 0.00 55.73 54.87 3gtm s ARG 904 Cb -0.10 -1.66 -0.10 0.00 -1.56 0.00 0.00 34.95 31.53 3gtm s ARG 904 CO 0.56 -1.10 0.93 0.14 -0.81 0.00 0.00 175.30 175.02 3gtm s VAL 905 N 1.27 4.46 0.00 7.11 -7.23 0.10 -4.95 120.40 121.15 3gtm s VAL 905 Ca 0.14 1.35 0.00 0.00 -1.81 0.00 0.00 61.98 61.66 3gtm s VAL 905 Cb -0.20 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.11 3gtm s VAL 905 CO -0.13 -0.39 0.00 -1.54 -0.31 0.00 0.00 175.10 172.72 3gtm n SER 906 N -0.83 0.00 0.00 4.85 3.41 -1.26 -1.22 113.62 118.57 3gtm n SER 906 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3gtm n SER 906 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3gtm n SER 906 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gtm n GLY 907 N 1.74 0.50 2.30 5.00 0.00 -1.26 -4.00 105.19 109.46 3gtm n GLY 907 Ca 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3gtm n GLY 907 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gtm n GLU 908 N 0.00 2.66 -0.79 1.61 1.02 -1.26 -4.56 120.64 119.32 3gtm n GLU 908 Ca 0.00 -3.28 -0.30 0.00 -0.02 0.00 0.00 57.16 53.56 3gtm n GLU 908 Cb 0.00 -2.27 0.17 0.00 -0.02 0.00 0.00 31.44 29.32 3gtm n GLU 908 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gtm s ASP 909 N -1.82 2.70 -0.04 1.62 1.11 -1.26 -3.82 116.67 115.16 3gtm s ASP 909 Ca 0.64 1.91 -0.19 0.00 0.18 0.00 0.00 52.55 55.08 3gtm s ASP 909 Cb 0.50 -2.45 -0.05 0.00 1.07 0.00 0.00 42.92 41.99 3gtm s ASP 909 CO 0.00 -3.19 0.54 -0.69 1.18 0.00 0.00 175.17 173.01 3gtm s VAL 910 N -2.67 5.01 -0.07 -1.27 1.01 -1.25 -0.20 120.40 120.97 3gtm s VAL 910 Ca 0.66 1.10 0.08 0.00 0.00 0.00 0.00 61.98 63.83 3gtm s VAL 910 Cb -0.22 -3.87 -0.13 0.00 0.00 0.00 0.00 36.38 32.17 3gtm s VAL 910 CO 0.59 0.41 0.21 -0.38 0.00 0.00 0.00 175.10 175.93 3gtm n ILE 911 N 2.90 0.00 -3.59 2.22 5.41 -0.43 -4.73 119.36 121.14 3gtm n ILE 911 Ca -0.08 -0.21 -0.14 0.00 1.00 0.00 0.00 62.75 63.32 3gtm n ILE 911 Cb 0.51 0.41 -0.12 0.00 -0.71 0.00 0.00 39.64 39.73 3gtm n ILE 911 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3gtm s ILE 912 N -2.47 -0.42 -0.26 1.39 1.01 -1.17 -3.97 121.20 115.31 3gtm s ILE 912 Ca -0.02 0.16 -0.17 0.00 0.00 0.00 0.00 60.65 60.62 3gtm s ILE 912 Cb 0.06 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.95 3gtm s ILE 912 CO 0.35 0.02 0.45 -0.83 0.00 0.00 0.00 174.94 174.93 3gtm s GLY 913 N 2.42 1.88 -0.16 6.18 0.00 0.91 -2.37 107.32 116.17 3gtm s GLY 913 Ca 0.04 -0.67 -0.09 0.00 0.00 0.00 0.00 44.72 44.00 3gtm s GLY 913 CO -0.10 1.11 0.38 1.25 0.00 0.00 0.00 173.10 175.74 3gtm s LYS 914 N 2.12 0.36 0.13 2.90 2.20 -1.25 0.24 119.74 126.45 3gtm s LYS 914 Ca 0.19 0.73 0.09 0.00 -0.36 0.00 0.00 55.97 56.62 3gtm s LYS 914 Cb -0.16 -0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.10 3gtm s LYS 914 CO 0.09 -0.15 -0.20 0.95 -0.36 0.00 0.00 175.35 175.67 3gtm s THR 915 N 1.32 1.82 -0.26 3.43 -4.23 0.34 0.36 115.64 118.43 3gtm s THR 915 Ca -0.09 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 58.70 3gtm s THR 915 Cb -0.08 -1.73 0.05 0.00 1.34 0.00 0.00 72.50 72.08 3gtm s THR 915 CO -0.11 -0.15 -0.08 -0.89 -0.54 0.00 0.00 174.62 172.84 3gtm s THR 916 N -1.52 2.49 -0.48 3.99 2.01 -0.65 -1.35 115.64 120.12 3gtm s THR 916 Ca 0.11 -1.38 -0.29 0.00 0.31 0.00 0.00 61.69 60.44 3gtm s THR 916 Cb -0.08 -2.37 0.03 0.00 0.01 0.00 0.00 72.50 70.09 3gtm s THR 916 CO 0.06 0.06 1.13 -2.84 -0.69 0.00 0.00 174.62 172.33 3gtm s PRO 917 N 1.20 3.72 -0.08 4.92 0.02 -1.26 -3.30 135.00 140.22 3gtm s PRO 917 Ca -0.05 0.55 -0.01 0.00 0.02 0.00 0.00 61.00 61.50 3gtm s PRO 917 Cb -0.19 -3.91 0.03 0.00 0.02 0.00 0.00 34.50 30.46 3gtm s PRO 917 CO -0.05 -1.37 0.01 0.42 -0.33 0.00 0.00 177.00 175.68 3gtm s ILE 918 N 4.41 0.34 0.00 2.83 1.01 -1.26 -4.89 121.20 123.64 3gtm s ILE 918 Ca 0.47 0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.23 3gtm s ILE 918 Cb -0.07 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.87 3gtm s ILE 918 CO 0.31 0.23 0.70 -1.54 0.00 0.00 0.00 174.94 174.64 3gtm n SER 919 N 5.16 -1.39 0.00 3.58 3.41 -1.26 -4.96 113.62 118.15 3gtm n SER 919 Ca -0.07 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 3gtm n SER 919 Cb 0.50 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3gtm n SER 919 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gtm n SER 933 N 3.59 0.00 -2.88 4.04 3.41 -1.26 -5.28 113.62 115.24 3gtm n SER 933 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 3gtm n SER 933 Cb 0.35 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.30 3gtm n SER 933 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gtm s LYS 934 N -2.00 0.94 -0.20 4.33 1.02 -1.26 -4.69 119.74 117.88 3gtm s LYS 934 Ca 0.00 -0.78 -0.11 0.00 0.02 0.00 0.00 55.97 55.10 3gtm s LYS 934 Cb 0.00 -0.01 -0.05 0.00 -0.52 0.00 0.00 37.83 37.25 3gtm s LYS 934 CO 0.00 -1.21 0.16 -0.98 -0.92 0.00 0.00 175.35 172.40 3gtm s ARG 935 N 1.16 4.19 -0.06 1.68 1.70 -1.21 -3.45 118.95 122.97 3gtm s ARG 935 Ca 0.26 -0.17 -0.29 0.00 -0.47 0.00 0.00 55.73 55.05 3gtm s ARG 935 Cb -0.00 -3.43 -0.02 0.00 -0.57 0.00 0.00 34.95 30.93 3gtm s ARG 935 CO -0.06 0.27 0.98 0.34 -1.08 0.00 0.00 175.30 175.75 3gtm s ASP 936 N 0.42 7.28 -0.42 -2.89 -1.08 -0.90 -1.64 116.67 117.43 3gtm s ASP 936 Ca 0.09 1.56 0.06 0.00 -0.52 0.00 0.00 52.55 53.74 3gtm s ASP 936 Cb -0.11 -2.55 0.43 0.00 -1.46 0.00 0.00 42.92 39.22 3gtm s ASP 936 CO -0.01 -0.35 1.10 0.00 0.52 0.00 0.00 175.17 176.44 3gtm n ALA 937 N 4.48 4.94 -2.61 3.66 0.00 0.16 -4.91 120.51 126.22 3gtm n ALA 937 Ca 0.07 -4.20 -0.34 0.00 0.00 0.00 0.00 53.44 48.97 3gtm n ALA 937 Cb 0.50 -0.56 -0.05 0.00 0.00 0.00 0.00 19.45 19.34 3gtm n ALA 937 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3gtm s SER 938 N -3.52 6.59 -0.41 0.00 0.01 -1.24 -4.42 113.70 110.72 3gtm s SER 938 Ca 0.47 0.72 -0.16 0.00 1.31 0.00 0.00 55.95 58.29 3gtm s SER 938 Cb 0.40 -2.15 0.02 0.00 0.21 0.00 0.00 66.02 64.51 3gtm s SER 938 CO -0.16 0.14 0.35 -0.89 0.41 0.00 0.00 173.24 173.10 3gtm s THR 939 N -1.46 5.20 0.59 1.44 2.01 -1.00 -4.97 115.64 117.44 3gtm s THR 939 Ca 0.35 -0.55 -0.13 0.00 0.31 0.00 0.00 61.69 61.67 3gtm s THR 939 Cb -0.13 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 3gtm s THR 939 CO 0.19 -0.35 1.02 -2.16 -0.69 0.00 0.00 174.62 172.63 3gtm s PRO 940 N 1.85 3.66 0.62 4.92 0.04 -1.26 -1.31 135.00 143.52 3gtm s PRO 940 Ca 0.08 0.84 -0.18 0.00 0.04 0.00 0.00 61.00 61.78 3gtm s PRO 940 Cb -0.18 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 3gtm s PRO 940 CO 0.11 -0.52 1.13 -0.11 0.04 0.00 0.00 177.00 177.65 3gtm n LEU 941 N -2.38 4.84 -4.51 -3.56 7.94 0.72 -4.78 117.00 115.28 3gtm n LEU 941 Ca 0.06 0.82 -0.46 0.00 -1.11 0.00 0.00 56.01 55.33 3gtm n LEU 941 Cb 0.54 -1.47 -0.06 0.00 0.53 0.00 0.00 43.42 42.96 3gtm n LEU 941 CO 0.54 -1.43 1.88 0.54 -1.11 0.00 0.00 177.39 177.80 3gtm n ARG 942 N -1.44 1.28 -0.33 1.96 5.12 -1.26 -4.74 116.66 117.25 3gtm n ARG 942 Ca 0.15 0.30 0.32 0.00 -1.93 0.00 0.00 57.85 56.69 3gtm n ARG 942 Cb 0.48 -2.79 0.58 0.00 -1.16 0.00 0.00 32.46 29.57 3gtm n ARG 942 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3gtm n SER 943 N 11.38 0.32 -1.37 0.55 3.41 -1.26 0.01 113.62 126.65 3gtm n SER 943 Ca 0.39 1.57 0.08 0.00 -0.26 0.00 0.00 58.87 60.64 3gtm n SER 943 Cb 0.33 -0.77 0.30 0.00 -0.26 0.00 0.00 64.21 63.81 3gtm n SER 943 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3gtm n THR 944 N -5.11 1.53 -4.62 6.66 -2.24 -1.26 -4.60 114.28 104.64 3gtm n THR 944 Ca 0.37 -0.97 -0.27 0.00 -2.27 0.00 0.00 64.05 60.92 3gtm n THR 944 Cb 1.29 0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.49 3gtm n THR 944 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gtm n GLU 945 N 0.86 0.96 -3.61 -0.78 1.02 0.10 -4.98 120.64 114.22 3gtm n GLU 945 Ca 0.21 -3.06 -0.08 0.00 -0.02 0.00 0.00 57.16 54.22 3gtm n GLU 945 Cb 0.77 0.86 -0.05 0.00 -0.02 0.00 0.00 31.44 32.99 3gtm n GLU 945 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3gtm s ASN 946 N -3.30 -0.27 0.00 1.62 4.22 -1.26 -4.48 114.94 111.48 3gtm s ASN 946 Ca 0.01 0.34 0.00 0.00 -2.14 0.00 0.00 52.86 51.07 3gtm s ASN 946 Cb 0.00 0.28 0.00 0.00 1.28 0.00 0.00 41.25 42.81 3gtm s ASN 946 CO 0.01 -0.21 0.00 0.61 -2.04 0.00 0.00 177.10 175.46 3gtm n GLY 947 N 0.91 -0.65 3.22 0.45 0.00 -0.36 -4.67 105.19 104.09 3gtm n GLY 947 Ca -0.08 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 3gtm n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtm s ILE 948 N -3.00 2.03 0.60 -0.61 1.01 -0.50 -0.72 121.20 120.01 3gtm s ILE 948 Ca 0.00 -1.01 -0.19 0.00 0.00 0.00 0.00 60.65 59.46 3gtm s ILE 948 Cb 0.00 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 3gtm s ILE 948 CO 0.00 0.55 0.95 0.52 0.00 0.00 0.00 174.94 176.97 3gtm n VAL 949 N 3.50 3.63 0.00 2.92 0.31 -1.05 0.03 118.33 127.67 3gtm n VAL 949 Ca -0.19 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 3gtm n VAL 949 Cb 0.53 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 3gtm n VAL 949 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3gtm n ASP 950 N -0.70 4.16 0.00 4.52 2.03 0.26 -4.44 116.55 122.38 3gtm n ASP 950 Ca 0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.45 3gtm n ASP 950 Cb 0.47 0.45 0.00 0.00 -0.72 0.00 0.00 41.12 41.32 3gtm n ASP 950 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 3gtm n GLN 951 N -1.71 0.00 -4.95 -0.67 7.27 -1.24 -4.88 117.38 111.21 3gtm n GLN 951 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.77 3gtm n GLN 951 Cb 0.38 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.88 3gtm n GLN 951 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3gtm s VAL 952 N -0.25 2.08 0.02 1.69 1.01 -1.26 -2.04 120.40 121.65 3gtm s VAL 952 Ca 0.00 -1.32 0.03 0.00 0.00 0.00 0.00 61.98 60.69 3gtm s VAL 952 Cb 0.00 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3gtm s VAL 952 CO 0.00 0.39 -0.11 -1.48 0.00 0.00 0.00 175.10 173.90 3gtm s LEU 953 N -1.13 2.13 -0.05 3.92 2.34 -0.97 -5.03 118.68 119.88 3gtm s LEU 953 Ca 0.11 -0.35 0.04 0.00 0.06 0.00 0.00 54.13 53.99 3gtm s LEU 953 Cb -0.10 -0.45 -0.00 0.00 -0.56 0.00 0.00 46.19 45.08 3gtm s LEU 953 CO 0.02 0.02 -0.17 -0.69 -1.06 0.00 0.00 176.35 174.46 3gtm s VAL 954 N -0.69 1.44 0.26 1.48 1.01 -1.26 -2.25 120.40 120.39 3gtm s VAL 954 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 3gtm s VAL 954 Cb -0.06 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 3gtm s VAL 954 CO 0.00 0.42 0.45 -0.89 0.00 0.00 0.00 175.10 175.08 3gtm s THR 955 N 0.09 0.00 0.03 3.92 2.01 -0.64 -4.96 115.64 116.09 3gtm s THR 955 Ca -0.05 -1.48 -0.15 0.00 0.31 0.00 0.00 61.69 60.31 3gtm s THR 955 Cb -0.12 -2.30 -0.06 0.00 0.01 0.00 0.00 72.50 70.03 3gtm s THR 955 CO 0.03 0.00 0.45 -0.89 -0.69 0.00 0.00 174.62 173.52 3gtm s THR 956 N -3.89 4.96 -0.52 -0.82 2.01 -1.25 -2.05 115.64 114.07 3gtm s THR 956 Ca 0.25 0.89 0.03 0.00 0.31 0.00 0.00 61.69 63.17 3gtm s THR 956 Cb 0.00 -3.75 0.13 0.00 0.01 0.00 0.00 72.50 68.89 3gtm s THR 956 CO 0.11 0.53 0.27 0.21 -0.69 0.00 0.00 174.62 175.05 3gtm s ASN 957 N -1.18 4.53 0.00 3.53 2.47 -0.87 -4.83 114.94 118.58 3gtm s ASN 957 Ca 0.26 -2.91 0.00 0.00 0.42 0.00 0.00 52.86 50.64 3gtm s ASN 957 Cb -0.17 -1.68 0.00 0.00 -1.45 0.00 0.00 41.25 37.95 3gtm s ASN 957 CO 0.15 -0.27 0.00 0.00 -3.72 0.00 0.00 177.10 173.26 3gtm n GLN 958 N 3.28 0.00 -0.07 0.43 1.13 -1.26 -3.16 117.38 117.74 3gtm n GLN 958 Ca 0.05 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 55.00 3gtm n GLN 958 Cb 0.34 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.64 3gtm n GLN 958 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 3gtm h ASP 959 N 0.00 0.33 0.00 1.08 3.32 -1.93 -3.38 116.42 115.84 3gtm h ASP 959 Ca 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3gtm h ASP 959 Cb 0.00 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3gtm h ASP 959 CO 0.00 0.51 0.00 0.61 -1.72 0.00 0.00 179.24 178.64 3gtm n GLY 960 N -0.45 1.18 3.81 2.75 0.00 -1.19 -4.56 105.19 106.74 3gtm n GLY 960 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 3gtm n GLY 960 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtm s LEU 961 N 0.00 4.52 0.43 0.99 1.43 -1.26 -4.73 118.68 120.07 3gtm s LEU 961 Ca 0.00 1.28 -0.26 0.00 -1.03 0.00 0.00 54.13 54.13 3gtm s LEU 961 Cb 0.00 -2.95 -0.08 0.00 0.03 0.00 0.00 46.19 43.19 3gtm s LEU 961 CO 0.00 0.26 1.38 -0.75 0.23 0.00 0.00 176.35 177.47 3gtm s LYS 962 N -1.17 3.79 -0.30 1.70 2.20 -1.26 -2.05 119.74 122.65 3gtm s LYS 962 Ca 0.30 2.32 -0.04 0.00 -0.36 0.00 0.00 55.97 58.19 3gtm s LYS 962 Cb -0.19 -2.69 0.19 0.00 -1.51 0.00 0.00 37.83 33.62 3gtm s LYS 962 CO 0.19 -0.70 0.71 0.12 -0.36 0.00 0.00 175.35 175.32 3gtm s PHE 963 N -1.23 -1.35 -0.11 4.03 5.36 -0.87 -1.73 117.98 122.08 3gtm s PHE 963 Ca 0.59 1.44 0.03 0.00 -0.96 0.00 0.00 56.93 58.04 3gtm s PHE 963 Cb -0.42 0.48 -0.00 0.00 -0.34 0.00 0.00 43.02 42.74 3gtm s PHE 963 CO 0.53 -0.73 -0.21 0.08 -1.46 0.00 0.00 175.22 173.43 3gtm s VAL 964 N 2.88 2.29 -0.20 3.12 1.01 -0.21 -1.62 120.40 127.66 3gtm s VAL 964 Ca 0.15 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 3gtm s VAL 964 Cb -0.14 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.34 3gtm s VAL 964 CO -0.19 0.55 -0.11 -0.54 0.00 0.00 0.00 175.10 174.82 3gtm s LYS 965 N 0.42 3.25 -0.09 2.72 1.02 -0.95 -1.17 119.74 124.93 3gtm s LYS 965 Ca -0.15 -0.70 -0.03 0.00 0.02 0.00 0.00 55.97 55.10 3gtm s LYS 965 Cb -0.17 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 3gtm s LYS 965 CO 0.07 -0.15 0.04 0.08 -0.92 0.00 0.00 175.35 174.46 3gtm s VAL 966 N 1.29 4.62 -0.41 3.17 1.01 0.18 -2.30 120.40 127.96 3gtm s VAL 966 Ca 0.03 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.92 3gtm s VAL 966 Cb -0.14 -2.97 0.11 0.00 0.00 0.00 0.00 36.38 33.39 3gtm s VAL 966 CO -0.05 0.61 0.15 -0.60 0.00 0.00 0.00 175.10 175.20 3gtm s ARG 967 N -0.94 1.57 0.46 2.72 3.52 -0.87 0.08 118.95 125.49 3gtm s ARG 967 Ca 0.14 -2.09 -0.22 0.00 -0.13 0.00 0.00 55.73 53.43 3gtm s ARG 967 Cb -0.11 -3.04 -0.08 0.00 -1.56 0.00 0.00 34.95 30.15 3gtm s ARG 967 CO 0.03 -1.03 1.08 0.08 -0.81 0.00 0.00 175.30 174.65 3gtm s VAL 968 N 0.48 3.52 -0.05 7.11 1.01 -0.18 -0.57 120.40 131.71 3gtm s VAL 968 Ca 0.14 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.18 3gtm s VAL 968 Cb -0.22 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.68 3gtm s VAL 968 CO -0.06 -0.09 -0.02 -0.60 0.00 0.00 0.00 175.10 174.33 3gtm s ARG 969 N -2.85 0.66 0.03 2.72 3.00 0.10 -1.97 118.95 120.63 3gtm s ARG 969 Ca 0.64 0.01 0.06 0.00 -1.00 0.00 0.00 55.73 55.44 3gtm s ARG 969 Cb -0.22 -0.83 -0.03 0.00 0.00 0.00 0.00 34.95 33.87 3gtm s ARG 969 CO 0.27 -0.18 -0.17 0.99 0.00 0.00 0.00 175.30 176.21 3gtm s THR 970 N 1.34 2.86 0.08 4.11 2.01 0.74 -1.41 115.64 125.37 3gtm s THR 970 Ca -0.05 -1.10 -0.13 0.00 0.31 0.00 0.00 61.69 60.72 3gtm s THR 970 Cb -0.13 -2.19 -0.06 0.00 0.01 0.00 0.00 72.50 70.12 3gtm s THR 970 CO -0.02 0.38 0.47 -0.89 -0.69 0.00 0.00 174.62 173.86 3gtm s THR 971 N -0.90 4.97 -0.05 -0.82 2.01 -1.26 0.88 115.64 120.48 3gtm s THR 971 Ca 0.14 0.73 0.04 0.00 0.31 0.00 0.00 61.69 62.91 3gtm s THR 971 Cb -0.11 -3.71 -0.00 0.00 0.01 0.00 0.00 72.50 68.69 3gtm s THR 971 CO 0.05 0.36 -0.16 -0.54 -0.69 0.00 0.00 174.62 173.64 3gtm s LYS 972 N -1.68 1.73 -0.07 4.92 1.02 0.38 -4.94 119.74 121.10 3gtm s LYS 972 Ca 0.32 -0.57 0.03 0.00 0.02 0.00 0.00 55.97 55.77 3gtm s LYS 972 Cb -0.15 -1.49 -0.02 0.00 -0.52 0.00 0.00 37.83 35.64 3gtm s LYS 972 CO 0.17 0.21 -0.15 0.42 -0.92 0.00 0.00 175.35 175.08 3gtm s ILE 973 N 0.12 2.96 -0.56 2.17 1.01 -1.26 -2.40 121.20 123.24 3gtm s ILE 973 Ca -0.05 -0.74 -0.08 0.00 0.00 0.00 0.00 60.65 59.78 3gtm s ILE 973 Cb -0.12 -2.18 -0.17 0.00 0.01 0.00 0.00 42.46 40.01 3gtm s ILE 973 CO 0.02 0.57 1.68 -2.65 0.00 0.00 0.00 174.94 174.56 3gtm n PRO 974 N 2.73 0.05 -0.39 2.79 -0.02 -1.26 -4.85 135.00 134.04 3gtm n PRO 974 Ca -0.17 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.08 3gtm n PRO 974 Cb 0.52 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 3gtm n PRO 974 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3gtm n GLN 975 N 5.58 1.33 0.08 -0.52 7.27 -1.26 -4.99 117.38 124.87 3gtm n GLN 975 Ca 0.35 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.36 3gtm n GLN 975 Cb 0.35 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.95 3gtm n GLN 975 CO 0.00 0.00 0.00 0.97 0.07 0.00 0.00 177.06 178.10 3gtm h ILE 976 N -0.20 1.64 0.00 1.69 6.09 -1.89 -3.22 117.51 121.62 3gtm h ILE 976 Ca 0.00 -3.07 0.00 0.00 -1.37 0.00 0.00 64.86 60.42 3gtm h ILE 976 Cb 0.00 2.67 0.00 0.00 0.47 0.00 0.00 36.82 39.96 3gtm h ILE 976 CO 0.00 0.88 -1.10 0.61 -3.07 0.00 0.00 178.15 175.47 3gtm n GLY 977 N 1.07 -1.13 3.61 8.18 0.00 -1.26 -4.34 105.19 111.32 3gtm n GLY 977 Ca -0.01 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 3gtm n GLY 977 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gtm n ASP 978 N -1.83 0.29 -4.48 1.61 9.92 -1.22 -4.45 116.55 116.40 3gtm n ASP 978 Ca 0.02 0.62 -0.31 0.00 -0.53 0.00 0.00 54.79 54.59 3gtm n ASP 978 Cb 0.41 -1.40 -0.12 0.00 -0.64 0.00 0.00 41.12 39.37 3gtm n ASP 978 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3gtm s LYS 979 N -3.48 2.12 0.11 -1.24 2.20 -1.26 -2.30 119.74 115.89 3gtm s LYS 979 Ca 0.72 -0.96 -0.06 0.00 -0.36 0.00 0.00 55.97 55.31 3gtm s LYS 979 Cb -0.32 -2.23 -0.02 0.00 -1.51 0.00 0.00 37.83 33.75 3gtm s LYS 979 CO 0.52 0.54 0.15 -0.06 -0.36 0.00 0.00 175.35 176.15 3gtm s PHE 980 N -0.95 0.44 -0.27 4.03 0.40 -0.64 -3.72 117.98 117.28 3gtm s PHE 980 Ca 0.15 -0.86 -0.18 0.00 -0.60 0.00 0.00 56.93 55.44 3gtm s PHE 980 Cb -0.11 -0.20 0.07 0.00 0.51 0.00 0.00 43.02 43.30 3gtm s PHE 980 CO 0.06 -0.57 0.67 0.00 0.70 0.00 0.00 175.22 176.08 3gtm s ALA 981 N -3.94 -1.77 1.00 5.36 0.00 -0.99 -2.61 121.76 118.80 3gtm s ALA 981 Ca 0.13 2.23 0.00 0.00 0.00 0.00 0.00 51.96 54.32 3gtm s ALA 981 Cb 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.87 3gtm s ALA 981 CO -0.05 -0.36 0.00 -1.13 0.00 0.00 0.00 175.76 174.23 3gtm n SER 982 N 3.84 -0.89 -2.49 0.00 3.41 -1.12 -2.02 113.62 114.35 3gtm n SER 982 Ca -0.18 -0.08 -0.35 0.00 -0.26 0.00 0.00 58.87 57.99 3gtm n SER 982 Cb 0.58 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.59 3gtm n SER 982 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gtm n ARG 983 N -0.98 2.80 -1.08 4.33 1.74 -1.25 -4.22 116.66 118.00 3gtm n ARG 983 Ca 0.00 -3.47 -0.01 0.00 -0.77 0.00 0.00 57.85 53.60 3gtm n ARG 983 Cb 0.00 -2.28 -0.02 0.00 -1.02 0.00 0.00 32.46 29.14 3gtm n ARG 983 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3gtm n HIS 984 N -0.77 0.00 -1.09 -1.55 8.25 -1.26 -4.61 115.22 114.19 3gtm n HIS 984 Ca 0.58 -0.38 -0.03 0.00 -0.26 0.00 0.00 57.72 57.63 3gtm n HIS 984 Cb 0.55 0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.78 3gtm n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gtm n GLY 985 N 0.21 0.39 3.57 -1.41 0.00 -1.26 -4.77 105.19 101.91 3gtm n GLY 985 Ca -0.07 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 3gtm n GLY 985 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gtm s GLN 986 N -1.89 3.64 0.00 1.61 2.00 -1.26 -4.92 119.66 118.84 3gtm s GLN 986 Ca 0.00 -1.53 0.00 0.00 -2.00 0.00 0.00 55.36 51.83 3gtm s GLN 986 Cb 0.00 -5.43 0.00 0.00 0.80 0.00 0.00 33.01 28.38 3gtm s GLN 986 CO 0.00 -2.45 0.00 0.36 -0.50 0.00 0.00 175.29 172.70 3gtm n LYS 987 N 8.59 2.63 0.00 1.67 2.85 -1.26 -2.80 118.16 129.84 3gtm n LYS 987 Ca 0.43 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.69 3gtm n LYS 987 Cb 0.48 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.86 3gtm n LYS 987 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3gtm n GLY 988 N 5.00 3.49 3.48 2.58 0.00 -1.07 -4.67 105.19 114.00 3gtm n GLY 988 Ca 0.00 -1.85 -0.28 0.00 0.00 0.00 0.00 46.02 43.89 3gtm n GLY 988 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gtm s THR 989 N -2.68 2.72 -0.02 2.61 -4.23 -1.21 -1.62 115.64 111.22 3gtm s THR 989 Ca 0.00 -1.77 -0.35 0.00 -1.18 0.00 0.00 61.69 58.39 3gtm s THR 989 Cb 0.00 -2.30 -0.13 0.00 1.34 0.00 0.00 72.50 71.41 3gtm s THR 989 CO 0.00 -0.05 1.74 -0.38 -0.54 0.00 0.00 174.62 175.39 3gtm n ILE 990 N 0.36 0.34 0.13 2.99 5.41 -0.97 -1.49 119.36 126.13 3gtm n ILE 990 Ca -0.13 -0.06 0.08 0.00 1.00 0.00 0.00 62.75 63.64 3gtm n ILE 990 Cb 0.55 -1.63 0.17 0.00 -0.71 0.00 0.00 39.64 38.01 3gtm n ILE 990 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gtm n GLY 991 N 3.96 1.67 0.00 7.39 0.00 -0.92 -4.36 105.19 112.94 3gtm n GLY 991 Ca 0.21 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3gtm n GLY 991 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3gtm n ILE 992 N 1.00 0.00 -4.58 -0.61 3.06 -1.26 -4.94 119.36 112.03 3gtm n ILE 992 Ca 0.14 0.00 -0.33 0.00 -2.50 0.00 0.00 62.75 60.06 3gtm n ILE 992 Cb 0.48 0.00 -0.16 0.00 0.54 0.00 0.00 39.64 40.50 3gtm n ILE 992 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3gtm s THR 993 N -2.00 2.39 0.27 9.51 -4.23 -1.26 -2.80 115.64 117.52 3gtm s THR 993 Ca 0.00 -0.86 0.08 0.00 -1.18 0.00 0.00 61.69 59.72 3gtm s THR 993 Cb 0.00 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.81 3gtm s THR 993 CO 0.00 0.53 0.14 -0.31 -0.54 0.00 0.00 174.62 174.44 3gtm s TYR 994 N 0.83 2.95 0.54 3.99 2.02 -1.23 -4.81 117.35 121.65 3gtm s TYR 994 Ca -0.06 -0.17 0.02 0.00 -0.37 0.00 0.00 57.07 56.50 3gtm s TYR 994 Cb -0.15 -1.38 0.04 0.00 -0.40 0.00 0.00 41.96 40.07 3gtm s TYR 994 CO -0.01 0.52 0.75 1.03 -1.57 0.00 0.00 175.55 176.27 3gtm s ARG 995 N -3.80 2.54 0.41 -0.62 0.52 -1.26 0.90 118.95 117.64 3gtm s ARG 995 Ca 0.33 -0.89 0.17 0.00 -0.52 0.00 0.00 55.73 54.82 3gtm s ARG 995 Cb -0.07 -2.53 1.07 0.00 0.52 0.00 0.00 34.95 33.94 3gtm s ARG 995 CO 0.23 -0.68 1.83 0.00 0.02 0.00 0.00 175.30 176.70 3gtm h ARG 996 N 0.13 0.42 0.29 3.54 3.08 -1.95 -2.17 114.38 117.72 3gtm h ARG 996 Ca -0.41 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.60 3gtm h ARG 996 Cb 1.29 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3gtm h ARG 996 CO 0.50 0.28 -0.14 0.93 -1.07 0.00 0.00 179.97 180.47 3gtm h GLU 997 N 0.43 -0.38 0.00 0.04 3.07 -1.96 -3.09 114.58 112.70 3gtm h GLU 997 Ca 0.50 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 3gtm h GLU 997 Cb 1.23 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 3gtm h GLU 997 CO -0.21 -0.15 0.00 -0.25 -1.40 0.00 0.00 179.01 177.00 3gtm n ASP 998 N -5.19 0.00 -4.86 1.42 8.00 -0.88 -4.51 116.55 110.53 3gtm n ASP 998 Ca -0.10 -0.15 -0.31 0.00 0.71 0.00 0.00 54.79 54.94 3gtm n ASP 998 Cb 0.22 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 3gtm n ASP 998 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3gtm s MET 999 N -2.53 3.81 -0.34 -1.24 1.75 -0.87 -4.20 119.30 115.69 3gtm s MET 999 Ca 0.26 0.77 -0.27 0.00 -1.25 0.00 0.00 55.69 55.21 3gtm s MET 999 Cb 0.18 -2.19 0.01 0.00 2.84 0.00 0.00 34.83 35.68 3gtm s MET 999 CO 0.40 -0.29 0.97 -2.14 -0.65 0.00 0.00 175.02 173.31 3gtm s PRO 1000N -4.32 3.94 0.30 4.11 0.02 -1.26 -3.52 135.00 134.27 3gtm s PRO 1000Ca 0.56 0.77 0.01 0.00 0.02 0.00 0.00 61.00 62.36 3gtm s PRO 1000Cb -0.10 -3.77 -0.03 0.00 0.02 0.00 0.00 34.50 30.61 3gtm s PRO 1000CO 0.37 -0.90 0.49 -0.59 -0.33 0.00 0.00 177.00 176.04 3gtm s PHE 1001N 3.50 3.49 0.38 6.54 -0.12 -1.13 -4.42 117.98 126.21 3gtm s PHE 1001Ca 0.40 0.29 0.03 0.00 -0.05 0.00 0.00 56.93 57.61 3gtm s PHE 1001Cb -0.12 -1.84 -0.01 0.00 -0.63 0.00 0.00 43.02 40.42 3gtm s PHE 1001CO 0.17 0.23 0.55 -0.08 -0.05 0.00 0.00 175.22 176.04 3gtm s THR 1002N -2.16 4.22 0.27 -4.49 -1.32 -0.97 -0.48 115.64 110.70 3gtm s THR 1002Ca 0.39 -0.75 -0.01 0.00 -1.21 0.00 0.00 61.69 60.11 3gtm s THR 1002Cb -0.10 -3.51 0.25 0.00 -1.51 0.00 0.00 72.50 67.63 3gtm s THR 1002CO 0.33 -0.27 1.72 0.00 -2.21 0.00 0.00 174.62 174.19 3gtm h ALA 1003N 0.70 1.24 -0.94 11.08 0.00 -1.92 0.40 119.26 129.82 3gtm h ALA 1003Ca -0.47 0.13 0.25 0.00 0.00 0.00 0.00 54.91 54.82 3gtm h ALA 1003Cb 1.25 0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.96 3gtm h ALA 1003CO 0.56 -0.23 0.00 0.39 0.00 0.00 0.00 179.25 179.97 3gtm n GLU 1004N -4.99 -0.08 0.00 0.00 -0.58 -1.26 -4.84 120.64 108.89 3gtm n GLU 1004Ca 0.18 1.41 0.00 0.00 -0.42 0.00 0.00 57.16 58.33 3gtm n GLU 1004Cb 0.50 -2.24 0.00 0.00 -0.57 0.00 0.00 31.44 29.14 3gtm n GLU 1004CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gtm n GLY 1005N -1.48 0.95 3.71 0.62 0.00 0.14 -5.11 105.19 104.01 3gtm n GLY 1005Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 3gtm n GLY 1005CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtm s ILE 1006N -2.00 2.27 -0.03 -0.61 1.01 -1.26 -4.75 121.20 115.83 3gtm s ILE 1006Ca 0.00 0.09 -0.15 0.00 0.00 0.00 0.00 60.65 60.59 3gtm s ILE 1006Cb 0.00 -2.64 0.03 0.00 0.01 0.00 0.00 42.46 39.85 3gtm s ILE 1006CO 0.00 -0.11 0.32 0.54 0.00 0.00 0.00 174.94 175.69 3gtm s VAL 1007N -3.03 0.05 0.51 2.92 0.11 -1.26 -2.30 120.40 117.40 3gtm s VAL 1007Ca 0.64 -0.40 -0.11 0.00 -2.93 0.00 0.00 61.98 59.18 3gtm s VAL 1007Cb -0.17 -0.60 -0.05 0.00 -1.53 0.00 0.00 36.38 34.02 3gtm s VAL 1007CO 0.56 -0.22 0.90 -2.16 -3.33 0.00 0.00 175.10 170.86 3gtm s PRO 1008N -1.13 3.71 0.01 1.54 0.04 -1.26 -4.93 135.00 132.98 3gtm s PRO 1008Ca -0.12 0.61 0.23 0.00 0.04 0.00 0.00 61.00 61.76 3gtm s PRO 1008Cb -0.05 -2.23 0.09 0.00 0.04 0.00 0.00 34.50 32.35 3gtm s PRO 1008CO 0.04 -0.30 1.10 -0.25 0.04 0.00 0.00 177.00 177.63 3gtm n ASP 1009N -2.04 0.71 -3.71 6.66 8.00 0.16 -4.43 116.55 121.89 3gtm n ASP 1009Ca 0.04 -0.52 -0.12 0.00 0.71 0.00 0.00 54.79 54.90 3gtm n ASP 1009Cb 0.54 0.72 -0.10 0.00 -0.02 0.00 0.00 41.12 42.26 3gtm n ASP 1009CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3gtm s LEU 1010N -3.27 0.17 -0.37 0.64 2.96 -1.01 -1.86 118.68 115.94 3gtm s LEU 1010Ca 0.08 0.90 0.00 0.00 -0.22 0.00 0.00 54.13 54.89 3gtm s LEU 1010Cb 0.16 1.48 0.12 0.00 0.50 0.00 0.00 46.19 48.45 3gtm s LEU 1010CO 0.80 -0.17 0.17 -0.63 -1.32 0.00 0.00 176.35 175.20 3gtm s ILE 1011N 0.62 0.93 0.39 6.68 1.01 -0.35 -0.30 121.20 130.17 3gtm s ILE 1011Ca -0.03 -1.87 -0.05 0.00 0.00 0.00 0.00 60.65 58.70 3gtm s ILE 1011Cb -0.05 -1.68 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 3gtm s ILE 1011CO -0.04 -0.81 0.67 0.27 0.00 0.00 0.00 174.94 175.03 3gtm s ILE 1012N 1.06 4.96 -0.11 2.92 -4.36 -0.97 -3.04 121.20 121.67 3gtm s ILE 1012Ca 0.14 0.12 -0.24 0.00 -0.26 0.00 0.00 60.65 60.40 3gtm s ILE 1012Cb -0.21 -3.80 -0.03 0.00 1.25 0.00 0.00 42.46 39.67 3gtm s ILE 1012CO -0.12 -0.58 0.75 0.21 0.24 0.00 0.00 174.94 175.45 3gtm s ASN 1013N -3.63 6.97 0.42 4.36 3.84 -1.25 -1.96 114.94 123.69 3gtm s ASN 1013Ca 0.46 1.18 0.13 0.00 0.21 0.00 0.00 52.86 54.84 3gtm s ASN 1013Cb -0.10 -2.43 0.71 0.00 -0.55 0.00 0.00 41.25 38.87 3gtm s ASN 1013CO 0.36 -0.23 1.30 -0.65 -2.79 0.00 0.00 177.10 175.09 3gtm h PRO 1014N 7.01 0.00 0.00 0.43 0.11 -1.86 0.12 132.00 137.81 3gtm h PRO 1014Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3gtm h PRO 1014Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3gtm h PRO 1014CO 0.78 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.29 3gtm n HIS 1015N -2.19 0.00 -0.11 0.65 8.25 -1.26 -3.29 115.22 117.27 3gtm n HIS 1015Ca -0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.38 3gtm n HIS 1015Cb 0.46 -0.35 0.14 0.00 1.12 0.00 0.00 29.99 31.36 3gtm n HIS 1015CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gtm n ALA 1016N -1.35 3.81 -0.72 -1.41 0.00 0.41 -4.27 120.51 116.99 3gtm n ALA 1016Ca 0.11 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.21 3gtm n ALA 1016Cb 0.24 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3gtm n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3gtm n ILE 1017N -0.12 0.00 -0.33 0.00 2.08 -1.21 -4.77 119.36 115.02 3gtm n ILE 1017Ca 0.25 0.01 0.03 0.00 0.56 0.00 0.00 62.75 63.61 3gtm n ILE 1017Cb 0.99 -0.69 0.10 0.00 -0.75 0.00 0.00 39.64 39.29 3gtm n ILE 1017CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 3gtm h PRO 1018N 0.00 -0.01 0.14 0.38 0.11 -1.79 0.20 132.00 131.04 3gtm h PRO 1018Ca 0.00 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.13 3gtm h PRO 1018Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3gtm h PRO 1018CO 0.00 -0.01 -0.28 1.03 -0.21 0.00 0.00 178.00 178.53 3gtm h SER 1019N -0.01 -0.81 0.21 -2.05 0.87 -1.91 -3.28 113.55 106.58 3gtm h SER 1019Ca 0.41 0.09 -0.35 0.00 -1.23 0.00 0.00 61.79 60.71 3gtm h SER 1019Cb 0.65 0.30 0.02 0.00 -0.44 0.00 0.00 62.40 62.93 3gtm h SER 1019CO -0.93 -0.38 -1.67 0.03 -0.53 0.00 0.00 176.83 173.35 3gtm h ARG 1020N -0.51 0.45 -3.50 2.24 3.08 -1.61 -3.49 114.38 111.03 3gtm h ARG 1020Ca 0.03 -0.77 -0.05 0.00 0.07 0.00 0.00 59.98 59.25 3gtm h ARG 1020Cb 0.53 0.29 0.04 0.00 0.08 0.00 0.00 29.97 30.91 3gtm h ARG 1020CO -0.15 1.37 -0.19 -1.33 -1.07 0.00 0.00 179.97 178.60 3gtm n MET 1021N -3.64 -0.52 -3.49 0.04 2.81 0.62 -4.79 117.12 108.16 3gtm n MET 1021Ca -0.22 0.19 -0.42 0.00 -1.81 0.00 0.00 57.70 55.43 3gtm n MET 1021Cb 1.09 -2.47 -0.06 0.00 -0.71 0.00 0.00 33.22 31.07 3gtm n MET 1021CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 3gtm s THR 1022N -3.08 4.75 -0.26 2.03 -1.32 -1.26 -3.35 115.64 113.15 3gtm s THR 1022Ca 0.10 -2.51 0.23 0.00 -1.21 0.00 0.00 61.69 58.29 3gtm s THR 1022Cb -0.01 -4.01 0.04 0.00 -1.51 0.00 0.00 72.50 67.01 3gtm s THR 1022CO 0.16 -0.94 1.11 0.58 -2.21 0.00 0.00 174.62 173.33 3gtm h VAL 1023N 5.18 0.00 -0.46 5.08 2.07 -1.96 -3.28 116.25 122.88 3gtm h VAL 1023Ca 0.00 -0.99 -0.09 0.00 0.82 0.00 0.00 66.70 66.44 3gtm h VAL 1023Cb 1.02 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 3gtm h VAL 1023CO 0.77 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 178.30 3gtm h ALA 1024N 2.01 1.02 -0.32 1.67 0.00 -1.82 -1.79 119.26 120.03 3gtm h ALA 1024Ca 0.00 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.67 3gtm h ALA 1024Cb 1.00 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 3gtm h ALA 1024CO 0.00 0.60 -0.01 1.25 0.00 0.00 0.00 179.25 181.09 3gtm h HIS 1025N 0.74 -0.03 -0.82 0.00 6.17 -1.87 1.63 115.15 120.96 3gtm h HIS 1025Ca 0.13 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.23 3gtm h HIS 1025Cb 0.53 0.06 -0.04 0.00 2.52 0.00 0.00 27.41 30.49 3gtm h HIS 1025CO 0.03 -0.06 0.49 -0.07 0.71 0.00 0.00 177.93 179.03 3gtm h LEU 1026N 0.08 0.99 0.02 0.26 3.38 -1.62 -2.56 115.31 115.86 3gtm h LEU 1026Ca 0.15 -0.06 -0.26 0.00 0.09 0.00 0.00 57.88 57.80 3gtm h LEU 1026Cb 0.21 -0.25 0.02 0.00 0.09 0.00 0.00 40.66 40.73 3gtm h LEU 1026CO -0.26 0.77 -1.03 0.40 0.09 0.00 0.00 178.44 178.40 3gtm h ILE 1027N 1.14 1.29 -0.93 1.22 2.04 -0.36 -2.14 117.51 119.77 3gtm h ILE 1027Ca 0.30 -2.26 0.18 0.00 1.00 0.00 0.00 64.86 64.07 3gtm h ILE 1027Cb -0.04 2.46 -0.08 0.00 -0.74 0.00 0.00 36.82 38.42 3gtm h ILE 1027CO -0.05 0.69 0.60 -0.08 0.00 0.00 0.00 178.15 179.31 3gtm h GLU 1028N 0.32 0.58 0.12 2.37 4.81 0.25 0.19 114.58 123.23 3gtm h GLU 1028Ca -0.13 -0.04 -0.24 0.00 -0.13 0.00 0.00 59.36 58.82 3gtm h GLU 1028Cb 1.69 -0.13 0.03 0.00 0.63 0.00 0.00 28.75 30.97 3gtm h GLU 1028CO 0.20 0.39 -1.03 0.00 -0.73 0.00 0.00 179.01 177.84 3gtm h LEU 1030N 0.00 0.94 0.42 0.00 5.85 -0.68 -0.77 115.31 121.08 3gtm h LEU 1030Ca -0.16 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 3gtm h LEU 1030Cb 1.75 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.54 3gtm h LEU 1030CO 0.20 0.85 -0.20 0.25 -0.34 0.00 0.00 178.44 179.20 3gtm h LEU 1031N 0.98 -0.48 -1.88 2.25 5.85 -0.68 -2.95 115.31 118.40 3gtm h LEU 1031Ca 0.23 -0.10 0.21 0.00 0.84 0.00 0.00 57.88 59.06 3gtm h LEU 1031Cb 0.20 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3gtm h LEU 1031CO -0.02 -0.14 0.55 0.28 -0.34 0.00 0.00 178.44 178.76 3gtm h SER 1032N -0.85 0.11 -0.63 1.25 0.02 -0.85 -0.62 113.55 111.97 3gtm h SER 1032Ca -0.06 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 3gtm h SER 1032Cb 0.55 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 3gtm h SER 1032CO 0.10 0.05 0.20 0.50 -1.14 0.00 0.00 176.83 176.53 3gtm h LYS 1033N 0.11 0.98 0.00 3.45 3.64 -0.96 -1.70 116.57 122.09 3gtm h LYS 1033Ca 0.38 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3gtm h LYS 1033Cb 1.33 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3gtm h LYS 1033CO -0.04 0.87 0.00 0.28 -2.27 0.00 0.00 179.45 178.28 3gtm h VAL 1034N 0.91 0.00 -0.02 2.00 2.07 -1.05 -3.13 116.25 117.04 3gtm h VAL 1034Ca 0.20 -0.53 -0.16 0.00 0.82 0.00 0.00 66.70 67.04 3gtm h VAL 1034Cb 0.29 1.51 0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3gtm h VAL 1034CO -0.01 0.00 -0.60 0.00 0.02 0.00 0.00 177.57 176.98 3gtm h ALA 1035N 2.44 0.09 0.00 1.67 0.00 -0.66 -0.50 119.26 122.31 3gtm h ALA 1035Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3gtm h ALA 1035Cb 0.75 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3gtm h ALA 1035CO 0.00 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.62 3gtm h ALA 1036N 0.35 1.00 0.05 0.00 0.00 -1.35 -0.22 119.26 119.08 3gtm h ALA 1036Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.52 3gtm h ALA 1036Cb 1.30 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3gtm h ALA 1036CO 0.12 0.00 -1.78 1.28 0.00 0.00 0.00 179.25 178.87 3gtm n LEU 1037N -2.49 2.27 0.13 0.00 4.77 -1.18 -4.46 117.00 116.03 3gtm n LEU 1037Ca 0.02 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3gtm n LEU 1037Cb 0.29 -1.01 0.03 0.00 -2.33 0.00 0.00 43.42 40.40 3gtm n LEU 1037CO 0.24 0.59 0.41 0.77 -1.33 0.00 0.00 177.39 178.07 3gtm h SER 1038N -0.49 0.00 -0.79 -1.43 4.64 -1.01 -3.47 113.55 110.99 3gtm h SER 1038Ca -0.43 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.86 3gtm h SER 1038Cb 1.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.77 3gtm h SER 1038CO -0.10 0.61 -0.03 0.61 -0.87 0.00 0.00 176.83 177.05 3gtm n GLY 1039N 1.12 0.64 2.75 -0.77 0.00 -0.11 -5.06 105.19 103.77 3gtm n GLY 1039Ca 0.01 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 3gtm n GLY 1039CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gtm s ASN 1040N -2.99 2.16 -0.14 1.61 0.01 -1.10 -5.07 114.94 109.43 3gtm s ASN 1040Ca 0.02 -0.41 -0.35 0.00 -0.71 0.00 0.00 52.86 51.41 3gtm s ASN 1040Cb -0.01 -0.51 -0.12 0.00 0.41 0.00 0.00 41.25 41.02 3gtm s ASN 1040CO 0.02 -0.24 1.86 1.21 -1.51 0.00 0.00 177.10 178.44 3gtm n GLU 1041N 5.11 1.96 -2.75 -0.60 2.13 -1.26 -4.48 120.64 120.74 3gtm n GLU 1041Ca -0.08 0.72 -0.37 0.00 0.66 0.00 0.00 57.16 58.08 3gtm n GLU 1041Cb 0.49 -2.53 -0.06 0.00 0.27 0.00 0.00 31.44 29.60 3gtm n GLU 1041CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3gtm s GLY 1042N 4.05 2.85 -0.86 8.31 0.00 -1.06 -4.98 107.32 115.62 3gtm s GLY 1042Ca 0.94 0.56 -0.16 0.00 0.00 0.00 0.00 44.72 46.06 3gtm s GLY 1042CO 0.55 1.03 0.92 -0.35 0.00 0.00 0.00 173.10 175.25 3gtm s ASP 1043N -1.53 6.68 -0.21 1.64 2.15 -1.26 -2.09 116.67 122.05 3gtm s ASP 1043Ca 0.49 -2.35 0.04 0.00 0.43 0.00 0.00 52.55 51.16 3gtm s ASP 1043Cb -0.20 -2.30 0.40 0.00 -0.30 0.00 0.00 42.92 40.52 3gtm s ASP 1043CO 0.26 -0.81 1.40 0.00 -0.17 0.00 0.00 175.17 175.85 3gtm n ALA 1044N 5.21 3.91 -1.76 3.66 0.00 -0.47 -4.95 120.51 126.11 3gtm n ALA 1044Ca 0.17 -1.42 -0.42 0.00 0.00 0.00 0.00 53.44 51.78 3gtm n ALA 1044Cb 0.48 -1.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 3gtm n ALA 1044CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3gtm s SER 1045N -0.31 6.38 0.04 0.00 0.01 -1.25 -1.73 113.70 116.84 3gtm s SER 1045Ca 0.31 2.92 -0.09 0.00 1.31 0.00 0.00 55.95 60.41 3gtm s SER 1045Cb 0.25 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.84 3gtm s SER 1045CO 0.07 -0.93 1.15 -0.65 0.41 0.00 0.00 173.24 173.29 3gtm h PRO 1046N 5.40 -0.01 -3.72 12.44 0.11 -1.92 -3.34 132.00 140.96 3gtm h PRO 1046Ca -0.46 0.00 -0.76 0.00 0.11 0.00 0.00 66.00 64.89 3gtm h PRO 1046Cb 1.21 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.03 3gtm h PRO 1046CO 0.84 -0.01 -0.04 -0.06 -0.21 0.00 0.00 178.00 178.53 3gtm s PHE 1047N -3.69 3.67 0.30 0.65 0.40 -1.26 -4.65 117.98 113.40 3gtm s PHE 1047Ca -0.03 -2.28 0.03 0.00 -0.60 0.00 0.00 56.93 54.05 3gtm s PHE 1047Cb 0.03 -3.61 -0.04 0.00 0.51 0.00 0.00 43.02 39.91 3gtm s PHE 1047CO 0.17 -0.93 0.15 0.95 0.70 0.00 0.00 175.22 176.26 3gtm s THR 1048N -0.01 0.34 -1.21 0.64 -4.23 -1.25 -5.02 115.64 104.89 3gtm s THR 1048Ca 0.18 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.78 3gtm s THR 1048Cb -0.13 -2.52 0.39 0.00 1.34 0.00 0.00 72.50 71.57 3gtm s THR 1048CO -0.07 0.00 1.20 0.47 -0.54 0.00 0.00 174.62 175.68 3gtm n ASP 1049N -0.88 2.84 -4.70 3.99 8.00 -1.26 -4.87 116.55 119.66 3gtm n ASP 1049Ca 0.01 -2.27 -0.41 0.00 0.71 0.00 0.00 54.79 52.83 3gtm n ASP 1049Cb 0.65 -0.45 -0.04 0.00 -0.02 0.00 0.00 41.12 41.26 3gtm n ASP 1049CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gtm s ILE 1050N -1.73 4.94 0.55 0.53 1.01 -1.26 -4.97 121.20 120.26 3gtm s ILE 1050Ca 0.27 1.69 0.04 0.00 0.00 0.00 0.00 60.65 62.65 3gtm s ILE 1050Cb 0.18 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.52 3gtm s ILE 1050CO 0.12 0.14 0.29 -0.89 0.00 0.00 0.00 174.94 174.60 3gtm s THR 1051N 1.34 1.41 0.02 2.92 2.01 -1.26 -4.98 115.64 117.10 3gtm s THR 1051Ca 0.42 -1.65 -0.13 0.00 0.31 0.00 0.00 61.69 60.64 3gtm s THR 1051Cb -0.18 -2.06 -0.34 0.00 0.01 0.00 0.00 72.50 69.93 3gtm s THR 1051CO 0.19 0.00 0.94 0.58 -0.69 0.00 0.00 174.62 175.63 3gtm h VAL 1052N 0.89 1.22 -0.24 3.82 2.07 -1.97 -3.28 116.25 118.77 3gtm h VAL 1052Ca -0.39 -2.70 -0.14 0.00 0.82 0.00 0.00 66.70 64.29 3gtm h VAL 1052Cb 1.31 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 34.04 3gtm h VAL 1052CO 0.62 0.83 -0.45 -0.33 0.02 0.00 0.00 177.57 178.26 3gtm h GLU 1053N 0.13 0.60 0.00 1.57 4.39 -1.95 -1.11 114.58 118.21 3gtm h GLU 1053Ca -0.26 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.11 3gtm h GLU 1053Cb 2.13 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.80 3gtm h GLU 1053CO 0.24 0.93 0.00 0.78 -1.16 0.00 0.00 179.01 179.80 3gtm h GLY 1054N 1.03 0.00 0.00 -3.84 0.00 -1.94 -2.93 103.07 95.39 3gtm h GLY 1054Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.97 3gtm h GLY 1054CO 0.09 0.00 -2.35 1.39 0.00 0.00 0.00 176.54 175.66 3gtm n ILE 1055N -2.53 1.34 -0.32 2.60 5.41 -0.99 -4.54 119.36 120.32 3gtm n ILE 1055Ca -0.02 -0.40 0.16 0.00 1.00 0.00 0.00 62.75 63.49 3gtm n ILE 1055Cb 0.05 -1.65 0.32 0.00 -0.71 0.00 0.00 39.64 37.66 3gtm n ILE 1055CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3gtm h SER 1056N -0.57 -0.24 -0.20 4.38 0.02 -1.02 0.21 113.55 116.15 3gtm h SER 1056Ca -0.59 0.25 0.06 0.00 -0.84 0.00 0.00 61.79 60.67 3gtm h SER 1056Cb 1.64 0.39 -0.07 0.00 0.14 0.00 0.00 62.40 64.50 3gtm h SER 1056CO -0.27 -0.31 -0.26 0.11 -1.14 0.00 0.00 176.83 174.97 3gtm h LYS 1057N 0.07 -0.28 0.07 3.45 1.57 -1.79 0.89 116.57 120.54 3gtm h LYS 1057Ca 0.61 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.44 3gtm h LYS 1057Cb 1.32 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.64 3gtm h LYS 1057CO -0.82 -0.19 -0.41 -0.07 -0.57 0.00 0.00 179.45 177.40 3gtm h LEU 1058N -0.29 -1.21 -0.66 2.94 3.38 -0.83 -0.98 115.31 117.66 3gtm h LEU 1058Ca 0.12 0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.29 3gtm h LEU 1058Cb 0.48 0.46 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 3gtm h LEU 1058CO -0.36 -0.47 0.37 0.25 0.09 0.00 0.00 178.44 178.32 3gtm h LEU 1059N -0.61 0.54 -1.58 1.67 5.85 -1.14 -1.13 115.31 118.92 3gtm h LEU 1059Ca 0.03 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.80 3gtm h LEU 1059Cb 0.66 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3gtm h LEU 1059CO -0.27 0.35 0.31 -0.09 -0.34 0.00 0.00 178.44 178.40 3gtm h ARG 1060N 0.68 0.55 0.00 1.25 9.65 -0.38 0.32 114.38 126.44 3gtm h ARG 1060Ca 0.29 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 59.10 3gtm h ARG 1060Cb 0.18 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 3gtm h ARG 1060CO -0.18 0.36 -0.18 0.93 2.80 0.00 0.00 179.97 183.70 3gtm h GLU 1061N 0.57 0.00 -0.05 0.20 5.08 0.07 -2.67 114.58 117.77 3gtm h GLU 1061Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3gtm h GLU 1061Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3gtm h GLU 1061CO -0.04 0.18 0.00 0.72 -1.00 0.00 0.00 179.01 178.87 3gtm n HIS 1062N -3.82 0.06 -0.48 4.33 8.25 0.11 -4.93 115.22 118.73 3gtm n HIS 1062Ca -0.02 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 3gtm n HIS 1062Cb 0.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 3gtm n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gtm n GLY 1063N 1.12 0.75 3.35 -1.41 0.00 -1.01 -5.08 105.19 102.91 3gtm n GLY 1063Ca 0.19 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 3gtm n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gtm s TYR 1064N -2.00 1.90 0.24 1.61 1.51 -1.21 -5.06 117.35 114.35 3gtm s TYR 1064Ca 0.00 -0.45 -0.29 0.00 -1.01 0.00 0.00 57.07 55.32 3gtm s TYR 1064Cb 0.00 -0.95 -0.15 0.00 -0.11 0.00 0.00 41.96 40.75 3gtm s TYR 1064CO 0.00 0.36 0.87 0.94 -1.11 0.00 0.00 175.55 176.61 3gtm n GLN 1065N 0.31 0.86 0.00 -0.62 -0.06 -1.26 -3.91 117.38 112.71 3gtm n GLN 1065Ca -0.13 0.30 0.14 0.00 -2.00 0.00 0.00 57.00 55.31 3gtm n GLN 1065Cb 0.57 -1.57 0.77 0.00 -4.06 0.00 0.00 30.24 25.95 3gtm n GLN 1065CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 3gtm n SER 1066N 1.58 0.00 -0.36 1.69 3.41 -1.26 -2.46 113.62 116.22 3gtm n SER 1066Ca 0.13 -0.58 0.03 0.00 -0.26 0.00 0.00 58.87 58.19 3gtm n SER 1066Cb 0.28 -0.11 0.08 0.00 -0.26 0.00 0.00 64.21 64.20 3gtm n SER 1066CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gtm n ARG 1067N -1.11 2.09 0.00 4.33 5.12 -1.26 -4.41 116.66 121.42 3gtm n ARG 1067Ca 0.18 -1.58 0.00 0.00 -1.93 0.00 0.00 57.85 54.52 3gtm n ARG 1067Cb 0.14 -1.16 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 3gtm n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gtm n GLY 1068N 0.20 2.29 3.61 -0.13 0.00 -1.03 -4.94 105.19 105.19 3gtm n GLY 1068Ca 0.06 -0.15 -0.49 0.00 0.00 0.00 0.00 46.02 45.44 3gtm n GLY 1068CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gtm n PHE 1069N 0.00 1.72 -4.41 1.61 3.01 -1.25 -3.48 117.46 114.66 3gtm n PHE 1069Ca 0.00 0.54 -0.23 0.00 1.01 0.00 0.00 57.45 58.77 3gtm n PHE 1069Cb 0.00 -2.38 -0.10 0.00 -0.01 0.00 0.00 39.48 36.98 3gtm n PHE 1069CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3gtm s GLU 1070N 0.32 1.50 -0.32 -1.08 2.02 0.37 -4.00 118.70 117.51 3gtm s GLU 1070Ca 0.79 -1.63 -0.14 0.00 0.02 0.00 0.00 54.97 54.02 3gtm s GLU 1070Cb -0.84 -1.54 -0.02 0.00 0.10 0.00 0.00 34.13 31.83 3gtm s GLU 1070CO 0.46 0.29 0.29 0.08 0.02 0.00 0.00 175.26 176.40 3gtm s VAL 1071N -2.43 5.24 0.17 2.63 1.01 -1.26 -1.49 120.40 124.26 3gtm s VAL 1071Ca 0.24 0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.37 3gtm s VAL 1071Cb -0.04 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3gtm s VAL 1071CO 0.11 0.04 -0.09 -0.04 0.00 0.00 0.00 175.10 175.11 3gtm s MET 1072N 1.88 2.09 -0.20 2.72 1.00 -1.26 -3.52 119.30 122.01 3gtm s MET 1072Ca 0.09 -1.23 -0.02 0.00 0.00 0.00 0.00 55.69 54.54 3gtm s MET 1072Cb -0.17 -2.19 0.00 0.00 0.00 0.00 0.00 34.83 32.48 3gtm s MET 1072CO 0.11 0.44 -0.11 0.71 0.00 0.00 0.00 175.02 176.18 3gtm s TYR 1073N -1.64 2.88 0.36 -0.03 1.51 0.37 -0.80 117.35 120.00 3gtm s TYR 1073Ca 0.25 -1.16 -0.23 0.00 -1.01 0.00 0.00 57.07 54.91 3gtm s TYR 1073Cb -0.09 -2.01 -0.15 0.00 -0.11 0.00 0.00 41.96 39.60 3gtm s TYR 1073CO 0.15 -0.61 0.34 -1.71 -1.11 0.00 0.00 175.55 172.62 3gtm n ASN 1074N 4.60 -1.81 0.07 2.29 2.85 -0.74 -2.84 115.26 119.68 3gtm n ASN 1074Ca -0.19 0.92 -0.13 0.00 -0.11 0.00 0.00 54.58 55.07 3gtm n ASN 1074Cb 0.51 -0.98 -0.04 0.00 1.24 0.00 0.00 39.78 40.50 3gtm n ASN 1074CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 3gtm h GLY 1075N 0.66 0.43 0.00 8.20 0.00 -1.72 -1.31 103.07 109.32 3gtm h GLY 1075Ca -0.36 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.21 3gtm h GLY 1075CO 0.51 0.67 0.00 1.42 0.00 0.00 0.00 176.54 179.13 3gtm n HIS 1076N -3.73 0.00 0.10 5.60 8.25 -1.26 -4.03 115.22 120.15 3gtm n HIS 1076Ca -0.06 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.42 3gtm n HIS 1076Cb 0.84 -0.49 -0.01 0.00 1.12 0.00 0.00 29.99 31.45 3gtm n HIS 1076CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3gtm h THR 1077N 0.00 0.71 -0.19 1.59 1.35 -1.97 -3.48 112.91 110.91 3gtm h THR 1077Ca 0.00 -2.10 -0.04 0.00 -0.55 0.00 0.00 66.41 63.72 3gtm h THR 1077Cb 0.00 2.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 3gtm h THR 1077CO 0.00 0.40 -0.04 0.61 -0.25 0.00 0.00 175.52 176.24 3gtm n GLY 1078N 1.28 0.39 3.88 5.82 0.00 -0.49 -5.04 105.19 111.03 3gtm n GLY 1078Ca -0.02 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 3gtm n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gtm s LYS 1079N -3.28 3.55 0.51 1.61 2.20 -1.25 -4.78 119.74 118.28 3gtm s LYS 1079Ca 0.00 -0.09 -0.19 0.00 -0.36 0.00 0.00 55.97 55.33 3gtm s LYS 1079Cb 0.00 -3.12 -0.12 0.00 -1.51 0.00 0.00 37.83 33.08 3gtm s LYS 1079CO 0.00 0.69 0.30 1.63 -0.36 0.00 0.00 175.35 177.61 3gtm n LYS 1080N 1.39 0.33 -3.08 4.03 5.02 -1.26 -1.79 118.16 122.79 3gtm n LYS 1080Ca -0.14 0.13 -0.39 0.00 -2.02 0.00 0.00 58.31 55.88 3gtm n LYS 1080Cb 0.53 -1.39 -0.05 0.00 -0.02 0.00 0.00 35.03 34.10 3gtm n LYS 1080CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gtm s LEU 1081N 2.53 4.36 0.54 -0.35 1.43 0.02 -4.73 118.68 122.49 3gtm s LEU 1081Ca 0.63 1.21 0.27 0.00 -1.03 0.00 0.00 54.13 55.22 3gtm s LEU 1081Cb -0.51 -3.05 1.44 0.00 0.03 0.00 0.00 46.19 44.10 3gtm s LEU 1081CO 0.59 -0.03 1.97 -0.03 0.23 0.00 0.00 176.35 179.08 3gtm h MET 1082N 6.28 0.00 -5.80 1.70 1.85 -1.91 -3.40 114.93 113.65 3gtm h MET 1082Ca -0.43 0.00 -0.60 0.00 -0.61 0.00 0.00 59.70 58.07 3gtm h MET 1082Cb 1.20 0.00 -0.11 0.00 0.43 0.00 0.00 31.60 33.12 3gtm h MET 1082CO 0.73 0.00 -0.55 0.00 -0.40 0.00 0.00 176.91 176.70 3gtm s ALA 1083N -4.94 3.39 0.44 0.39 0.00 -1.26 -5.15 121.76 114.63 3gtm s ALA 1083Ca -0.05 -2.20 0.07 0.00 0.00 0.00 0.00 51.96 49.78 3gtm s ALA 1083Cb 0.19 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.19 3gtm s ALA 1083CO 0.70 -0.14 0.60 -0.65 0.00 0.00 0.00 175.76 176.28 3gtm s GLN 1084N -3.81 2.79 0.03 0.00 1.11 -1.26 -4.75 119.66 113.77 3gtm s GLN 1084Ca 0.38 -1.15 0.08 0.00 0.01 0.00 0.00 55.36 54.69 3gtm s GLN 1084Cb 0.07 -2.71 -0.03 0.00 -1.01 0.00 0.00 33.01 29.33 3gtm s GLN 1084CO 0.20 -0.33 -0.25 0.42 0.01 0.00 0.00 175.29 175.34 3gtm s ILE 1085N -2.42 1.99 -0.60 1.08 1.09 -0.56 -4.96 121.20 116.82 3gtm s ILE 1085Ca 0.55 -1.28 -0.27 0.00 -1.10 0.00 0.00 60.65 58.56 3gtm s ILE 1085Cb -0.10 -1.70 0.04 0.00 -1.06 0.00 0.00 42.46 39.64 3gtm s ILE 1085CO 0.34 0.36 1.12 0.12 -0.10 0.00 0.00 174.94 176.79 3gtm s PHE 1086N -0.76 2.61 0.37 3.97 5.36 -1.26 -0.48 117.98 127.79 3gtm s PHE 1086Ca 0.10 0.17 0.08 0.00 -0.96 0.00 0.00 56.93 56.32 3gtm s PHE 1086Cb -0.10 -4.40 -0.03 0.00 -0.34 0.00 0.00 43.02 38.16 3gtm s PHE 1086CO 0.01 -1.60 0.31 0.12 -1.46 0.00 0.00 175.22 172.60 3gtm s PHE 1087N 4.74 2.80 0.00 10.12 5.99 -1.23 -2.60 117.98 137.81 3gtm s PHE 1087Ca 0.37 -0.39 0.00 0.00 0.00 0.00 0.00 56.93 56.91 3gtm s PHE 1087Cb -0.09 -1.93 0.00 0.00 0.00 0.00 0.00 43.02 41.00 3gtm s PHE 1087CO 0.21 0.09 0.00 0.41 -0.00 0.00 0.00 175.22 175.93 3gtm n GLY 1088N -1.41 4.12 3.75 13.12 0.00 -1.19 -4.78 105.19 118.80 3gtm n GLY 1088Ca 0.00 -1.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 3gtm n GLY 1088CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gtm s PRO 1089N -2.77 4.62 -0.14 1.61 0.04 -1.26 -0.26 135.00 136.84 3gtm s PRO 1089Ca 0.00 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 62.76 3gtm s PRO 1089Cb 0.00 -3.23 0.07 0.00 0.04 0.00 0.00 34.50 31.38 3gtm s PRO 1089CO 0.00 0.15 0.26 0.99 0.04 0.00 0.00 177.00 178.44 3gtm s THR 1090N -0.72 -0.42 -0.21 1.26 2.01 -0.05 -4.40 115.64 113.11 3gtm s THR 1090Ca 0.47 0.25 -0.28 0.00 0.31 0.00 0.00 61.69 62.43 3gtm s THR 1090Cb -0.31 -0.47 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 3gtm s THR 1090CO 0.38 0.09 2.18 -0.47 -0.69 0.00 0.00 174.62 176.11 3gtm s TYR 1091N 2.42 1.20 -0.08 4.92 5.04 -1.26 -2.89 117.35 126.70 3gtm s TYR 1091Ca 0.02 0.49 0.02 0.00 -2.44 0.00 0.00 57.07 55.16 3gtm s TYR 1091Cb -0.12 -3.95 -0.02 0.00 0.35 0.00 0.00 41.96 38.21 3gtm s TYR 1091CO -0.09 -4.11 -0.14 0.71 -1.34 0.00 0.00 175.55 170.58 3gtm s TYR 1092N 8.03 2.73 0.06 4.97 1.51 -0.41 -3.94 117.35 130.30 3gtm s TYR 1092Ca 0.99 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 56.70 3gtm s TYR 1092Cb -0.33 -1.70 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 3gtm s TYR 1092CO 0.35 0.03 0.15 -0.65 -1.11 0.00 0.00 175.55 174.32 3gtm s GLN 1093N -0.32 3.19 -0.43 -0.62 -0.21 -0.86 -1.29 119.66 119.12 3gtm s GLN 1093Ca 0.03 -0.53 -0.13 0.00 0.02 0.00 0.00 55.36 54.75 3gtm s GLN 1093Cb -0.13 -2.91 0.06 0.00 1.00 0.00 0.00 33.01 31.04 3gtm s GLN 1093CO 0.02 0.60 0.31 0.50 -2.12 0.00 0.00 175.29 174.61 3gtm s ARG 1094N -2.34 2.83 0.18 2.91 3.52 -1.26 -2.34 118.95 122.45 3gtm s ARG 1094Ca 0.31 -1.31 -0.13 0.00 -0.13 0.00 0.00 55.73 54.47 3gtm s ARG 1094Cb -0.13 -3.94 -0.07 0.00 -1.56 0.00 0.00 34.95 29.25 3gtm s ARG 1094CO 0.24 -0.93 0.55 -0.48 -0.81 0.00 0.00 175.30 173.87 3gtm s LEU 1095N 1.56 4.27 1.28 -0.88 0.05 -1.24 -1.82 118.68 121.90 3gtm s LEU 1095Ca 0.03 1.02 -0.21 0.00 0.05 0.00 0.00 54.13 55.03 3gtm s LEU 1095Cb -0.23 -3.43 0.32 0.00 -2.05 0.00 0.00 46.19 40.80 3gtm s LEU 1095CO 0.06 0.03 1.06 0.00 -0.55 0.00 0.00 176.35 176.95 3gtm s ARG 1096N -2.29 -1.81 0.00 1.48 1.70 0.60 -4.53 118.95 114.10 3gtm s ARG 1096Ca 0.42 -0.05 0.00 0.00 -0.47 0.00 0.00 55.73 55.63 3gtm s ARG 1096Cb -0.13 -1.52 0.00 0.00 -0.57 0.00 0.00 34.95 32.72 3gtm s ARG 1096CO 0.20 -4.11 0.00 0.72 -1.08 0.00 0.00 175.30 171.03 3gtm n HIS 1097N -5.05 0.00 -2.59 5.89 8.25 -1.26 -4.91 115.22 115.55 3gtm n HIS 1097Ca 0.14 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.37 3gtm n HIS 1097Cb 0.60 -0.38 0.08 0.00 1.12 0.00 0.00 29.99 31.41 3gtm n HIS 1097CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3gtm s MET 1098N -2.19 2.06 -0.02 -0.41 -1.94 -1.26 -4.02 119.30 111.52 3gtm s MET 1098Ca 0.00 -0.94 -0.12 0.00 -1.71 0.00 0.00 55.69 52.92 3gtm s MET 1098Cb 0.00 -2.39 -0.06 0.00 2.01 0.00 0.00 34.83 34.39 3gtm s MET 1098CO 0.00 -1.14 0.63 -0.24 -0.01 0.00 0.00 175.02 174.26 3gtm h VAL 1099N -0.29 0.00 0.00 -6.03 3.04 -1.94 -3.21 116.25 107.82 3gtm h VAL 1099Ca -0.39 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 3gtm h VAL 1099Cb 1.28 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 3gtm h VAL 1099CO 0.46 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.49 3gtm n ASP 1100N -4.14 0.00 0.11 3.17 8.00 -1.26 -0.64 116.55 121.79 3gtm n ASP 1100Ca -0.05 -0.51 0.12 0.00 0.71 0.00 0.00 54.79 55.06 3gtm n ASP 1100Cb 0.16 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.48 3gtm n ASP 1100CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3gtm h ASP 1101N 0.00 0.00 0.00 -2.24 5.19 -1.93 -3.38 116.42 114.05 3gtm h ASP 1101Ca 0.00 -0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 56.24 3gtm h ASP 1101Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 3gtm h ASP 1101CO 0.00 0.04 -1.34 0.29 -3.12 0.00 0.00 179.24 175.10 3gtm n LYS 1102N -2.42 2.36 -1.61 3.56 5.02 0.19 -5.04 118.16 120.23 3gtm n LYS 1102Ca 0.04 0.01 -0.57 0.00 -2.02 0.00 0.00 58.31 55.76 3gtm n LYS 1102Cb 0.47 -1.13 -0.07 0.00 -0.02 0.00 0.00 35.03 34.28 3gtm n LYS 1102CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3gtm n ILE 1103N -2.32 0.06 -3.70 -0.18 -0.00 -1.04 -4.95 119.36 107.22 3gtm n ILE 1103Ca -0.09 -0.01 -0.12 0.00 -0.00 0.00 0.00 62.75 62.53 3gtm n ILE 1103Cb 0.65 -0.63 -0.10 0.00 -0.00 0.00 0.00 39.64 39.57 3gtm n ILE 1103CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 3gtm s HIS 1104N 1.30 -0.57 0.07 1.39 5.65 -1.26 -5.03 115.29 116.83 3gtm s HIS 1104Ca 0.92 1.31 -0.17 0.00 0.25 0.00 0.00 55.06 57.37 3gtm s HIS 1104Cb -1.14 0.23 0.03 0.00 -1.18 0.00 0.00 32.58 30.52 3gtm s HIS 1104CO 0.58 -0.29 0.39 0.00 -0.65 0.00 0.00 174.74 174.77 3gtm s ALA 1105N 0.70 -0.92 -0.30 1.58 0.00 -1.26 -5.14 121.76 116.42 3gtm s ALA 1105Ca -0.04 0.14 -0.12 0.00 0.00 0.00 0.00 51.96 51.94 3gtm s ALA 1105Cb -0.05 0.44 0.14 0.00 0.00 0.00 0.00 23.12 23.65 3gtm s ALA 1105CO -0.05 -0.50 0.76 0.50 0.00 0.00 0.00 175.76 176.47 3gtm s ARG 1106N -2.90 0.50 -0.75 0.00 3.52 -1.26 -4.93 118.95 113.13 3gtm s ARG 1106Ca -0.03 1.21 -0.05 0.00 -0.13 0.00 0.00 55.73 56.73 3gtm s ARG 1106Cb 0.00 0.68 0.19 0.00 -1.56 0.00 0.00 34.95 34.26 3gtm s ARG 1106CO -0.05 -0.16 0.61 0.00 -0.81 0.00 0.00 175.30 174.88 3gtm s ALA 1107N 2.64 3.88 0.10 6.12 0.00 -1.26 -4.96 121.76 128.27 3gtm s ALA 1107Ca -0.05 -3.44 0.00 0.00 0.00 0.00 0.00 51.96 48.47 3gtm s ALA 1107Cb -0.10 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.13 3gtm s ALA 1107CO -0.18 -2.16 0.00 2.89 0.00 0.00 0.00 175.76 176.31 3gtm n ARG 1108N 3.27 -0.83 0.00 0.00 0.00 -1.26 -5.07 116.66 112.77 3gtm n ARG 1108Ca 0.13 0.55 0.00 0.00 -0.00 0.00 0.00 57.85 58.53 3gtm n ARG 1108Cb 0.39 -1.01 0.00 0.00 -0.00 0.00 0.00 32.46 31.84 3gtm n ARG 1108CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3gtm n GLY 1109N -1.50 0.64 3.48 2.89 0.00 -1.26 -5.05 105.19 104.40 3gtm n GLY 1109Ca 0.00 -1.61 -0.52 0.00 0.00 0.00 0.00 46.02 43.89 3gtm n GLY 1109CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gtm n PRO 1110N 0.00 0.31 -4.52 1.61 -0.04 -1.26 -4.95 135.00 126.14 3gtm n PRO 1110Ca 0.00 0.11 -0.24 0.00 -0.04 0.00 0.00 63.50 63.33 3gtm n PRO 1110Cb 0.00 -1.43 -0.11 0.00 -0.04 0.00 0.00 33.50 31.93 3gtm n PRO 1110CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3gtm s MET 1111N -0.48 1.76 0.83 0.54 -1.94 -1.26 -3.36 119.30 115.39 3gtm s MET 1111Ca 0.76 -1.95 -0.11 0.00 -1.71 0.00 0.00 55.69 52.68 3gtm s MET 1111Cb -1.04 -1.32 0.09 0.00 2.01 0.00 0.00 34.83 34.57 3gtm s MET 1111CO 0.56 -0.04 1.09 -0.65 -0.01 0.00 0.00 175.02 175.97 3gtm s GLN 1112N -3.75 1.79 -0.12 2.03 -0.21 0.21 -4.78 119.66 114.83 3gtm s GLN 1112Ca 0.34 0.92 -0.08 0.00 0.02 0.00 0.00 55.36 56.55 3gtm s GLN 1112Cb 0.07 -1.86 -0.26 0.00 1.00 0.00 0.00 33.01 31.95 3gtm s GLN 1112CO 0.16 -1.90 0.39 0.28 -2.12 0.00 0.00 175.29 172.10 3gtm h VAL 1113N -1.31 0.67 0.17 1.09 2.07 -1.98 -2.98 116.25 113.99 3gtm h VAL 1113Ca -0.47 -2.35 -0.31 0.00 0.82 0.00 0.00 66.70 64.39 3gtm h VAL 1113Cb 1.26 2.52 0.03 0.00 -1.52 0.00 0.00 31.29 33.58 3gtm h VAL 1113CO 0.54 0.87 -1.33 0.25 0.02 0.00 0.00 177.57 177.92 3gtm h LEU 1114N 0.02 0.82 0.00 2.57 5.85 -1.98 -3.38 115.31 119.20 3gtm h LEU 1114Ca -0.41 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 57.50 3gtm h LEU 1114Cb 2.00 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.77 3gtm h LEU 1114CO 0.08 1.62 -1.07 0.41 -0.34 0.00 0.00 178.44 179.13 3gtm n THR 1115N -3.74 0.00 -3.83 1.05 -1.04 -1.26 -5.01 114.28 100.45 3gtm n THR 1115Ca -0.14 -0.24 -0.26 0.00 -2.04 0.00 0.00 64.05 61.37 3gtm n THR 1115Cb 1.03 0.66 0.02 0.00 -1.82 0.00 0.00 70.33 70.22 3gtm n THR 1115CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3gtm n ARG 1116N -1.61 -5.09 -4.36 -2.82 1.74 -1.13 -4.30 116.66 99.10 3gtm n ARG 1116Ca 0.00 0.59 -0.25 0.00 -0.77 0.00 0.00 57.85 57.43 3gtm n ARG 1116Cb 0.28 -5.29 -0.13 0.00 -1.02 0.00 0.00 32.46 26.31 3gtm n ARG 1116CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3gtm s GLN 1117N -6.35 1.19 0.60 5.56 -0.21 -1.26 -4.41 119.66 114.78 3gtm s GLN 1117Ca 0.34 -1.14 -0.18 0.00 0.02 0.00 0.00 55.36 54.41 3gtm s GLN 1117Cb -0.17 -1.45 -0.14 0.00 1.00 0.00 0.00 33.01 32.25 3gtm s GLN 1117CO 0.83 0.34 -0.13 -2.30 -2.12 0.00 0.00 175.29 171.91 3gtm n PRO 1118N 1.21 0.06 -2.77 2.91 -0.02 -1.26 0.65 135.00 135.78 3gtm n PRO 1118Ca -0.19 0.03 -0.20 0.00 -2.02 0.00 0.00 63.50 61.12 3gtm n PRO 1118Cb 0.53 -1.11 0.03 0.00 -0.02 0.00 0.00 33.50 32.93 3gtm n PRO 1118CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3gtm s VAL 1119N -1.97 2.75 -0.34 -1.45 -7.23 -1.21 -4.52 120.40 106.43 3gtm s VAL 1119Ca 0.56 -0.78 -0.16 0.00 -1.81 0.00 0.00 61.98 59.79 3gtm s VAL 1119Cb -0.44 -2.97 -0.01 0.00 0.56 0.00 0.00 36.38 33.52 3gtm s VAL 1119CO 0.67 0.00 0.40 -0.70 -0.31 0.00 0.00 175.10 175.16 3gtm s GLU 1120N -4.63 3.59 0.00 4.82 2.12 -1.26 -2.95 118.70 120.39 3gtm s GLU 1120Ca 0.57 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.57 3gtm s GLU 1120Cb -0.10 -3.80 0.00 0.00 0.26 0.00 0.00 34.13 30.49 3gtm s GLU 1120CO 0.37 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 3gtm n GLY 1121N 4.90 3.40 0.16 -1.50 0.00 -1.26 -4.56 105.19 106.33 3gtm n GLY 1121Ca -0.08 -1.56 0.13 0.00 0.00 0.00 0.00 46.02 44.52 3gtm n GLY 1121CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3gtm h ARG 1122N 0.00 0.00 0.00 1.61 0.11 -1.93 -0.76 114.38 113.41 3gtm h ARG 1122Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3gtm h ARG 1122Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3gtm h ARG 1122CO 0.00 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 178.94 3gtm n SER 1123N -2.49 0.00 0.00 0.08 3.41 -1.26 -3.54 113.62 109.82 3gtm n SER 1123Ca 0.03 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 3gtm n SER 1123Cb 0.30 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 3gtm n SER 1123CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gtm n ARG 1124N -1.48 0.90 -3.59 4.33 1.74 -0.41 -4.95 116.66 113.20 3gtm n ARG 1124Ca 0.06 -0.77 -0.24 0.00 -0.77 0.00 0.00 57.85 56.13 3gtm n ARG 1124Cb 0.27 -0.73 0.05 0.00 -1.02 0.00 0.00 32.46 31.02 3gtm n ARG 1124CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3gtm n ASP 1125N -0.17 -4.33 -0.89 0.55 2.03 -0.51 -4.89 116.55 108.34 3gtm n ASP 1125Ca 0.00 -0.89 0.00 0.00 0.52 0.00 0.00 54.79 54.42 3gtm n ASP 1125Cb 0.32 -4.01 0.00 0.00 -0.72 0.00 0.00 41.12 36.70 3gtm n ASP 1125CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gtm n GLY 1126N -1.55 4.50 3.69 0.27 0.00 -1.00 -4.47 105.19 106.62 3gtm n GLY 1126Ca -0.15 -2.10 -0.22 0.00 0.00 0.00 0.00 46.02 43.55 3gtm n GLY 1126CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtm n GLY 1127N 5.00 2.33 3.88 -0.02 0.00 -1.15 -4.65 105.19 110.58 3gtm n GLY 1127Ca 0.00 -2.26 -0.30 0.00 0.00 0.00 0.00 46.02 43.47 3gtm n GLY 1127CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtm s LEU 1128N 0.00 4.19 0.10 0.99 1.43 -1.26 -4.60 118.68 119.53 3gtm s LEU 1128Ca 0.45 0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 53.41 3gtm s LEU 1128Cb -0.04 -2.80 -0.06 0.00 0.03 0.00 0.00 46.19 43.32 3gtm s LEU 1128CO 0.28 0.14 1.10 -0.60 0.23 0.00 0.00 176.35 177.51 3gtm s ARG 1129N -2.66 4.54 -1.19 1.70 3.52 -1.26 -4.95 118.95 118.65 3gtm s ARG 1129Ca 0.33 1.67 -0.07 0.00 -0.13 0.00 0.00 55.73 57.52 3gtm s ARG 1129Cb -0.12 -3.34 0.23 0.00 -1.56 0.00 0.00 34.95 30.16 3gtm s ARG 1129CO 0.26 -0.05 1.67 0.34 -0.81 0.00 0.00 175.30 176.72 3gtm n PHE 1130N 3.19 2.86 -0.41 5.12 7.35 -1.26 -5.02 117.46 129.29 3gtm n PHE 1130Ca 0.05 -2.78 -0.21 0.00 -0.76 0.00 0.00 57.45 53.75 3gtm n PHE 1130Cb 0.47 -1.68 0.20 0.00 0.35 0.00 0.00 39.48 38.82 3gtm n PHE 1130CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gtm n GLY 1131N 2.28 -2.97 0.08 7.13 0.00 -1.26 -4.48 105.19 105.96 3gtm n GLY 1131Ca 0.34 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 3gtm n GLY 1131CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gtm h GLU 1132N -3.08 -0.00 -0.85 1.61 5.08 -1.99 -1.79 114.58 113.56 3gtm h GLU 1132Ca -0.28 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.17 3gtm h GLU 1132Cb 0.92 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.12 3gtm h GLU 1132CO 0.17 -0.00 0.55 0.52 -1.00 0.00 0.00 179.01 179.25 3gtm h MET 1133N -0.00 0.80 -0.33 2.33 2.86 -1.97 0.34 114.93 118.96 3gtm h MET 1133Ca 0.05 -0.05 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 3gtm h MET 1133Cb 0.08 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 3gtm h MET 1133CO -0.11 0.53 -0.47 0.93 1.06 0.00 0.00 176.91 178.85 3gtm h GLU 1134N 0.83 0.89 -0.66 1.72 3.07 -1.78 -1.56 114.58 117.09 3gtm h GLU 1134Ca 0.39 -0.52 0.01 0.00 -0.50 0.00 0.00 59.36 58.74 3gtm h GLU 1134Cb 0.40 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.32 3gtm h GLU 1134CO -0.16 1.16 0.43 -0.09 -1.40 0.00 0.00 179.01 178.96 3gtm h ARG 1135N 0.70 0.86 0.00 2.33 2.43 -0.29 -2.44 114.38 117.97 3gtm h ARG 1135Ca 0.04 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3gtm h ARG 1135Cb 1.07 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3gtm h ARG 1135CO 0.11 0.57 0.00 -0.25 -1.51 0.00 0.00 179.97 178.89 3gtm n ASP 1136N -4.63 0.14 0.00 -3.80 8.00 0.11 -1.55 116.55 114.81 3gtm n ASP 1136Ca 0.05 0.53 -0.12 0.00 0.71 0.00 0.00 54.79 55.96 3gtm n ASP 1136Cb 0.02 -0.56 -0.14 0.00 -0.02 0.00 0.00 41.12 40.42 3gtm n ASP 1136CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gtm h MET 1138N 0.02 0.74 -0.40 0.00 2.86 -0.95 -2.16 114.93 115.04 3gtm h MET 1138Ca -0.28 -0.52 0.06 0.00 -2.06 0.00 0.00 59.70 56.89 3gtm h MET 1138Cb 2.00 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 33.69 3gtm h MET 1138CO 0.10 1.14 0.10 0.82 1.06 0.00 0.00 176.91 180.13 3gtm h ILE 1139N 0.46 0.82 -0.12 -1.22 2.04 -1.45 -1.62 117.51 116.42 3gtm h ILE 1139Ca -0.01 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.81 3gtm h ILE 1139Cb 1.18 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 3gtm h ILE 1139CO 0.12 0.04 -0.28 0.00 0.00 0.00 0.00 178.15 178.04 3gtm h ALA 1140N 1.29 -0.30 -0.06 1.87 0.00 -1.56 -1.57 119.26 118.93 3gtm h ALA 1140Ca 0.19 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3gtm h ALA 1140Cb 0.21 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3gtm h ALA 1140CO -0.23 -0.75 0.05 0.45 0.00 0.00 0.00 179.25 178.77 3gtm h HIS 1141N -0.35 0.00 0.00 0.00 3.86 -1.04 -3.46 115.15 114.16 3gtm h HIS 1141Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3gtm h HIS 1141Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 3gtm h HIS 1141CO -0.37 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.83 3gtm n GLY 1142N -1.51 0.65 3.56 2.45 0.00 -0.59 -5.00 105.19 104.74 3gtm n GLY 1142Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3gtm n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtm s ALA 1143N -2.30 2.02 -0.13 4.61 0.00 -1.22 -4.82 121.76 119.92 3gtm s ALA 1143Ca 0.00 -1.19 -0.26 0.00 0.00 0.00 0.00 51.96 50.51 3gtm s ALA 1143Cb 0.00 -4.43 -0.27 0.00 0.00 0.00 0.00 23.12 18.43 3gtm s ALA 1143CO 0.00 -4.25 0.73 0.00 0.00 0.00 0.00 175.76 172.24 3gtm h ALA 1144N 12.68 0.02 -0.96 0.00 0.00 -1.95 -3.31 119.26 125.74 3gtm h ALA 1144Ca -0.07 -0.65 0.10 0.00 0.00 0.00 0.00 54.91 54.29 3gtm h ALA 1144Cb 1.08 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 3gtm h ALA 1144CO 1.23 0.20 0.61 0.77 0.00 0.00 0.00 179.25 182.06 3gtm h SER 1145N -0.83 0.89 -0.63 0.00 0.02 -2.00 -0.18 113.55 110.82 3gtm h SER 1145Ca -0.08 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3gtm h SER 1145Cb 1.21 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 3gtm h SER 1145CO 0.01 0.51 0.40 0.15 -1.14 0.00 0.00 176.83 176.76 3gtm h PHE 1146N 0.98 0.82 -0.10 3.45 3.57 -1.98 -1.55 116.94 122.14 3gtm h PHE 1146Ca 0.45 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.85 3gtm h PHE 1146Cb 0.40 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3gtm h PHE 1146CO -0.00 0.54 -0.45 1.25 -2.23 0.00 0.00 178.31 177.42 3gtm h LEU 1147N 0.87 0.24 -1.03 0.59 6.46 -1.12 0.31 115.31 121.63 3gtm h LEU 1147Ca 0.23 -0.11 -0.09 0.00 -0.12 0.00 0.00 57.88 57.79 3gtm h LEU 1147Cb -0.06 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 3gtm h LEU 1147CO -0.05 0.66 -0.45 0.50 -0.62 0.00 0.00 178.44 178.49 3gtm h LYS 1148N 0.19 0.00 -0.03 1.25 3.64 -0.93 -2.38 116.57 118.31 3gtm h LYS 1148Ca 0.01 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.20 3gtm h LYS 1148Cb 0.87 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.70 3gtm h LYS 1148CO 0.07 0.45 -0.72 1.49 -2.27 0.00 0.00 179.45 178.46 3gtm h GLU 1149N 0.00 0.54 0.00 1.90 4.81 -0.49 -0.42 114.58 120.93 3gtm h GLU 1149Ca -0.00 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3gtm h GLU 1149Cb 0.86 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.38 3gtm h GLU 1149CO 0.06 1.17 0.00 0.54 -0.73 0.00 0.00 179.01 180.05 3gtm n ARG 1150N -4.10 0.18 -0.00 1.92 5.12 0.02 -2.73 116.66 117.07 3gtm n ARG 1150Ca -0.10 0.17 0.03 0.00 -1.93 0.00 0.00 57.85 56.02 3gtm n ARG 1150Cb 0.72 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.48 3gtm n ARG 1150CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3gtm n LEU 1151N -1.28 0.03 0.00 0.55 4.32 -0.90 -4.79 117.00 114.93 3gtm n LEU 1151Ca 0.06 -0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 3gtm n LEU 1151Cb 0.10 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 3gtm n LEU 1151CO 0.09 0.01 0.00 0.23 -1.22 0.00 0.00 177.39 176.50 3gtm n MET 1152N -1.66 0.00 0.30 3.23 2.81 -0.18 -3.82 117.12 117.80 3gtm n MET 1152Ca -0.01 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.00 3gtm n MET 1152Cb 0.16 0.00 0.57 0.00 -0.71 0.00 0.00 33.22 33.24 3gtm n MET 1152CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3gtm h GLU 1153N 0.00 0.00 -0.58 0.03 3.07 -1.76 0.40 114.58 115.74 3gtm h GLU 1153Ca 0.00 0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 58.47 3gtm h GLU 1153Cb 0.00 0.00 -0.25 0.00 -0.84 0.00 0.00 28.75 27.66 3gtm h GLU 1153CO 0.00 0.00 -0.25 0.00 -1.40 0.00 0.00 179.01 177.36 3gtm n ALA 1154N -1.82 4.87 -2.00 3.43 0.00 -1.15 -4.97 120.51 118.88 3gtm n ALA 1154Ca -0.00 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 49.97 3gtm n ALA 1154Cb 0.60 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.34 3gtm n ALA 1154CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gtm n SER 1155N -0.93 0.00 0.05 0.00 2.88 0.14 -4.88 113.62 110.88 3gtm n SER 1155Ca 0.41 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.92 3gtm n SER 1155Cb 0.92 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.37 3gtm n SER 1155CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3gtm h ASP 1156N 0.00 -0.18 -6.81 -3.46 3.32 -1.65 -3.44 116.42 104.19 3gtm h ASP 1156Ca 0.00 0.01 -0.52 0.00 0.02 0.00 0.00 57.03 56.54 3gtm h ASP 1156Cb 0.00 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3gtm h ASP 1156CO 0.00 0.20 -1.07 0.00 -1.72 0.00 0.00 179.24 176.65 3gtm n ALA 1157N -2.63 -2.73 -2.30 3.45 0.00 -1.24 -4.25 120.51 110.82 3gtm n ALA 1157Ca -0.03 -0.36 -0.25 0.00 0.00 0.00 0.00 53.44 52.80 3gtm n ALA 1157Cb 0.09 -1.16 0.02 0.00 0.00 0.00 0.00 19.45 18.39 3gtm n ALA 1157CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3gtm s PHE 1158N -3.13 1.41 -0.18 0.00 5.36 -0.52 -4.88 117.98 116.04 3gtm s PHE 1158Ca 0.13 -0.85 -0.05 0.00 -0.96 0.00 0.00 56.93 55.21 3gtm s PHE 1158Cb -0.07 -1.98 0.09 0.00 -0.34 0.00 0.00 43.02 40.72 3gtm s PHE 1158CO 0.90 -0.75 0.31 0.50 -1.46 0.00 0.00 175.22 174.72 3gtm s ARG 1159N -4.43 0.23 0.31 10.12 3.00 -1.26 -3.17 118.95 123.75 3gtm s ARG 1159Ca 0.41 0.67 0.10 0.00 -1.00 0.00 0.00 55.73 55.91 3gtm s ARG 1159Cb -0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 34.95 34.60 3gtm s ARG 1159CO 0.26 -0.42 -0.12 0.08 0.00 0.00 0.00 175.30 175.10 3gtm s VAL 1160N 2.47 2.22 -0.17 7.11 1.01 -0.93 -4.96 120.40 127.14 3gtm s VAL 1160Ca 0.04 -2.25 -0.03 0.00 0.00 0.00 0.00 61.98 59.74 3gtm s VAL 1160Cb -0.13 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 3gtm s VAL 1160CO -0.12 -0.28 -0.07 -1.00 0.00 0.00 0.00 175.10 173.63 3gtm s HIS 1161N -2.64 2.93 0.06 5.22 3.76 -1.26 -1.02 115.29 122.33 3gtm s HIS 1161Ca 0.31 -0.61 0.05 0.00 -0.15 0.00 0.00 55.06 54.66 3gtm s HIS 1161Cb 0.00 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.69 3gtm s HIS 1161CO 0.15 -0.25 -0.07 0.42 -0.85 0.00 0.00 174.74 174.14 3gtm s ILE 1162N 0.70 3.61 -0.07 0.60 1.01 -0.81 -4.25 121.20 121.99 3gtm s ILE 1162Ca -0.03 -0.99 -0.26 0.00 0.00 0.00 0.00 60.65 59.36 3gtm s ILE 1162Cb -0.15 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 3gtm s ILE 1162CO 0.02 0.24 0.84 0.00 0.00 0.00 0.00 174.94 176.04 3gtm h GLY 1164N 7.23 0.22 0.00 0.00 0.00 -1.63 -3.16 103.07 105.72 3gtm h GLY 1164Ca -0.38 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3gtm h GLY 1164CO 0.78 0.01 0.00 1.39 0.00 0.00 0.00 176.54 178.72 3gtm n ILE 1165N -4.38 0.00 -2.67 2.60 5.41 -1.26 -4.49 119.36 114.57 3gtm n ILE 1165Ca 0.14 0.28 -0.43 0.00 1.00 0.00 0.00 62.75 63.74 3gtm n ILE 1165Cb 0.69 -0.92 0.00 0.00 -0.71 0.00 0.00 39.64 38.70 3gtm n ILE 1165CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gtm n GLY 1167N 2.86 -0.40 3.33 0.00 0.00 -1.19 -4.71 105.19 105.06 3gtm n GLY 1167Ca 0.36 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 3gtm n GLY 1167CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtm s LEU 1168N 0.67 1.01 -1.24 0.99 1.43 -1.26 -2.99 118.68 117.29 3gtm s LEU 1168Ca 1.07 -1.01 -0.08 0.00 -1.03 0.00 0.00 54.13 53.08 3gtm s LEU 1168Cb -0.72 1.02 0.19 0.00 0.03 0.00 0.00 46.19 46.72 3gtm s LEU 1168CO 0.45 -0.90 1.87 0.23 0.23 0.00 0.00 176.35 178.24 3gtm n MET 1169N -0.23 3.97 0.00 1.70 2.81 -1.26 -3.68 117.12 120.43 3gtm n MET 1169Ca -0.05 -3.74 0.00 0.00 -1.81 0.00 0.00 57.70 52.10 3gtm n MET 1169Cb 0.63 -2.79 0.00 0.00 -0.71 0.00 0.00 33.22 30.35 3gtm n MET 1169CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3gtm n THR 1170N 2.63 0.00 -1.69 2.03 -1.04 -1.26 -5.06 114.28 109.89 3gtm n THR 1170Ca 0.40 0.00 -0.57 0.00 -2.04 0.00 0.00 64.05 61.84 3gtm n THR 1170Cb 0.34 -0.50 -0.07 0.00 -1.82 0.00 0.00 70.33 68.28 3gtm n THR 1170CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3gtm n VAL 1171N -1.45 0.31 -2.65 12.58 0.31 -1.26 -4.92 118.33 121.24 3gtm n VAL 1171Ca 0.00 -0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 63.84 3gtm n VAL 1171Cb 0.27 -1.26 -0.03 0.00 -0.91 0.00 0.00 33.84 31.92 3gtm n VAL 1171CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3gtm s ILE 1172N 3.82 4.71 -0.37 2.52 1.01 -1.24 -4.87 121.20 126.76 3gtm s ILE 1172Ca 0.99 1.94 0.02 0.00 0.00 0.00 0.00 60.65 63.61 3gtm s ILE 1172Cb -1.06 -4.25 0.11 0.00 0.01 0.00 0.00 42.46 37.27 3gtm s ILE 1172CO 0.65 0.14 0.11 0.00 0.00 0.00 0.00 174.94 175.84 3gtm s ALA 1173N 1.10 3.00 -1.30 9.38 0.00 -1.26 -4.41 121.76 128.27 3gtm s ALA 1173Ca 0.53 -2.61 -0.11 0.00 0.00 0.00 0.00 51.96 49.77 3gtm s ALA 1173Cb -0.22 -2.10 0.14 0.00 0.00 0.00 0.00 23.12 20.94 3gtm s ALA 1173CO 0.28 -1.75 1.85 1.63 0.00 0.00 0.00 175.76 177.77 3gtm n LYS 1174N 4.22 3.42 0.07 0.00 5.02 -1.12 -4.90 118.16 124.88 3gtm n LYS 1174Ca 0.03 -3.41 0.14 0.00 -2.02 0.00 0.00 58.31 53.05 3gtm n LYS 1174Cb 0.41 -3.04 0.24 0.00 -0.02 0.00 0.00 35.03 32.62 3gtm n LYS 1174CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3gtm h LEU 1175N 8.81 0.00 0.07 -0.35 3.38 -1.95 -2.32 115.31 122.96 3gtm h LEU 1175Ca 0.41 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.09 3gtm h LEU 1175Cb 0.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3gtm h LEU 1175CO 1.60 0.00 -1.58 0.78 0.09 0.00 0.00 178.44 179.33 3gtm h ASN 1176N 0.00 0.24 -0.19 -0.43 2.35 -1.95 -3.36 115.58 112.25 3gtm h ASN 1176Ca 0.24 -0.76 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 3gtm h ASN 1176Cb 2.40 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 40.69 3gtm h ASN 1176CO -0.00 1.66 0.00 1.41 -1.65 0.00 0.00 177.43 178.85 3gtm n HIS 1177N -3.95 0.25 -4.27 1.19 8.25 -0.88 -4.90 115.22 110.91 3gtm n HIS 1177Ca -0.30 -0.12 -0.35 0.00 -0.26 0.00 0.00 57.72 56.68 3gtm n HIS 1177Cb 0.87 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.93 3gtm n HIS 1177CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gtm n ASN 1178N 0.06 -1.78 -4.31 0.41 4.13 -1.17 -4.96 115.26 107.65 3gtm n ASN 1178Ca 0.08 -1.11 -0.31 0.00 1.68 0.00 0.00 54.58 54.92 3gtm n ASN 1178Cb 0.18 -2.35 -0.16 0.00 -1.54 0.00 0.00 39.78 35.91 3gtm n ASN 1178CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3gtm s GLN 1179N -7.01 2.29 0.00 3.52 -0.21 -1.25 -5.07 119.66 111.92 3gtm s GLN 1179Ca 0.52 -0.90 0.00 0.00 0.02 0.00 0.00 55.36 55.00 3gtm s GLN 1179Cb -0.29 -2.11 0.00 0.00 1.00 0.00 0.00 33.01 31.61 3gtm s GLN 1179CO 0.96 0.50 0.00 1.19 -2.12 0.00 0.00 175.29 175.82 3gtm n PHE 1180N 2.60 0.00 -0.84 0.91 3.01 -1.26 -2.78 117.46 119.10 3gtm n PHE 1180Ca -0.17 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.33 3gtm n PHE 1180Cb 0.51 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.96 3gtm n PHE 1180CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3gtm n GLU 1181N -1.28 -2.11 -3.35 -1.08 2.13 -1.26 -4.29 120.64 109.40 3gtm n GLU 1181Ca 0.00 1.67 -0.21 0.00 0.66 0.00 0.00 57.16 59.29 3gtm n GLU 1181Cb 0.00 -2.20 -0.08 0.00 0.27 0.00 0.00 31.44 29.42 3gtm n GLU 1181CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gtm n LYS 1183N 3.85 1.70 0.00 0.00 -0.00 -1.26 -1.27 118.16 121.17 3gtm n LYS 1183Ca 0.15 0.60 0.00 0.00 -0.00 0.00 0.00 58.31 59.07 3gtm n LYS 1183Cb 0.44 -2.20 0.00 0.00 -0.00 0.00 0.00 35.03 33.28 3gtm n LYS 1183CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3gtm n GLY 1184N 2.09 2.15 2.26 2.58 0.00 -1.26 -4.67 105.19 108.35 3gtm n GLY 1184Ca 0.13 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 3gtm n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtm n ASP 1186N -0.76 0.00 0.00 0.00 -0.08 -0.40 -4.83 116.55 110.49 3gtm n ASP 1186Ca 0.58 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.86 3gtm n ASP 1186Cb 0.70 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.16 3gtm n ASP 1186CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3gtm n ASN 1187N 0.00 0.00 0.00 1.67 2.85 -1.22 -4.89 115.26 113.66 3gtm n ASN 1187Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3gtm n ASN 1187Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3gtm n ASN 1187CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3gtm n LYS 1188N 0.00 0.00 0.01 1.20 5.02 -1.26 -4.75 118.16 118.38 3gtm n LYS 1188Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 3gtm n LYS 1188Cb 0.00 -0.75 -0.00 0.00 -0.02 0.00 0.00 35.03 34.26 3gtm n LYS 1188CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3gtm n ILE 1189N -2.00 0.90 -2.63 -0.18 5.41 -1.26 -4.55 119.36 115.05 3gtm n ILE 1189Ca 0.00 0.28 -0.43 0.00 1.00 0.00 0.00 62.75 63.60 3gtm n ILE 1189Cb 0.00 -1.56 -0.01 0.00 -0.71 0.00 0.00 39.64 37.36 3gtm n ILE 1189CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3gtm s ASP 1190N -5.61 6.79 -0.04 4.38 2.15 -1.26 -4.93 116.67 118.14 3gtm s ASP 1190Ca -0.05 -2.28 0.01 0.00 0.43 0.00 0.00 52.55 50.66 3gtm s ASP 1190Cb 0.01 -2.55 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 3gtm s ASP 1190CO 0.07 -1.19 -0.03 -0.63 -0.17 0.00 0.00 175.17 173.22 3gtm s ILE 1191N 4.02 0.42 0.33 4.11 1.01 -1.26 -1.56 121.20 128.26 3gtm s ILE 1191Ca 0.50 -0.04 0.08 0.00 0.00 0.00 0.00 60.65 61.19 3gtm s ILE 1191Cb 0.02 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 3gtm s ILE 1191CO 0.03 0.20 0.13 -0.31 0.00 0.00 0.00 174.94 174.99 3gtm s TYR 1192N 1.01 2.74 -0.14 3.97 1.51 -0.73 -4.97 117.35 120.74 3gtm s TYR 1192Ca -0.10 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 55.63 3gtm s TYR 1192Cb -0.14 -1.58 0.02 0.00 -0.11 0.00 0.00 41.96 40.15 3gtm s TYR 1192CO -0.01 0.38 -0.17 -1.14 -1.11 0.00 0.00 175.55 173.50 3gtm s GLN 1193N -3.83 2.49 0.07 -0.62 0.74 -1.26 -1.93 119.66 115.32 3gtm s GLN 1193Ca 0.37 -0.64 0.06 0.00 0.05 0.00 0.00 55.36 55.20 3gtm s GLN 1193Cb -0.03 -2.17 -0.04 0.00 1.10 0.00 0.00 33.01 31.87 3gtm s GLN 1193CO 0.23 -0.15 -0.11 0.96 -0.55 0.00 0.00 175.29 175.67 3gtm s ILE 1194N 1.22 3.31 -0.77 -2.34 -4.36 -0.19 -5.00 121.20 113.07 3gtm s ILE 1194Ca -0.00 -1.15 -0.03 0.00 -0.26 0.00 0.00 60.65 59.21 3gtm s ILE 1194Cb -0.14 -2.50 0.20 0.00 1.25 0.00 0.00 42.46 41.27 3gtm s ILE 1194CO -0.07 0.22 0.64 -1.00 0.24 0.00 0.00 174.94 174.96 3gtm s HIS 1195N -1.11 3.67 0.31 1.37 3.76 -1.26 -2.20 115.29 119.83 3gtm s HIS 1195Ca 0.19 -2.79 0.10 0.00 -0.15 0.00 0.00 55.06 52.41 3gtm s HIS 1195Cb -0.11 -3.29 -0.05 0.00 1.11 0.00 0.00 32.58 30.24 3gtm s HIS 1195CO 0.11 -0.81 -0.07 0.96 -0.85 0.00 0.00 174.74 174.07 3gtm s ILE 1196N -0.65 2.69 0.41 0.60 -4.36 -1.19 -4.96 121.20 113.73 3gtm s ILE 1196Ca 0.22 -2.13 -0.25 0.00 -0.26 0.00 0.00 60.65 58.22 3gtm s ILE 1196Cb -0.13 -2.63 -0.08 0.00 1.25 0.00 0.00 42.46 40.87 3gtm s ILE 1196CO -0.08 -0.30 1.20 -2.16 0.24 0.00 0.00 174.94 173.85 3gtm s PRO 1197N -3.63 4.01 0.15 0.37 0.04 -1.26 -1.44 135.00 133.24 3gtm s PRO 1197Ca 0.32 1.92 -0.18 0.00 0.04 0.00 0.00 61.00 63.10 3gtm s PRO 1197Cb -0.03 -2.68 0.04 0.00 0.04 0.00 0.00 34.50 31.88 3gtm s PRO 1197CO 0.18 -0.38 1.70 -0.92 0.04 0.00 0.00 177.00 177.62 3gtm h TYR 1198N 2.60 -0.04 -0.95 0.56 3.20 -1.88 -0.97 116.97 119.49 3gtm h TYR 1198Ca -0.49 0.02 0.23 0.00 3.14 0.00 0.00 58.73 61.63 3gtm h TYR 1198Cb 1.24 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 39.50 3gtm h TYR 1198CO 0.54 -0.07 0.63 0.00 -1.64 0.00 0.00 178.16 177.62 3gtm h ALA 1199N 1.27 2.27 -0.07 1.82 0.00 -1.93 0.19 119.26 122.82 3gtm h ALA 1199Ca 0.15 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3gtm h ALA 1199Cb 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3gtm h ALA 1199CO -0.26 -0.59 0.03 0.00 0.00 0.00 0.00 179.25 178.43 3gtm h ALA 1200N 1.60 0.09 -0.54 0.00 0.00 -1.56 -1.05 119.26 117.81 3gtm h ALA 1200Ca 0.50 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.44 3gtm h ALA 1200Cb 1.31 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 3gtm h ALA 1200CO -0.19 -0.34 -0.10 -0.22 0.00 0.00 0.00 179.25 178.40 3gtm h LYS 1201N -0.02 0.03 -0.40 0.00 3.64 -0.43 0.59 116.57 119.99 3gtm h LYS 1201Ca 0.02 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 3gtm h LYS 1201Cb 0.13 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 3gtm h LYS 1201CO -0.00 0.02 0.10 1.25 -2.27 0.00 0.00 179.45 178.55 3gtm h LEU 1202N 0.03 0.07 -0.49 5.20 6.46 -0.75 -0.28 115.31 125.55 3gtm h LEU 1202Ca 0.26 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 58.06 3gtm h LEU 1202Cb 0.41 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 3gtm h LEU 1202CO -0.53 0.07 0.24 0.25 -0.62 0.00 0.00 178.44 177.85 3gtm h LEU 1203N 0.24 0.64 -1.36 2.25 5.85 -0.18 0.20 115.31 122.95 3gtm h LEU 1203Ca 0.19 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3gtm h LEU 1203Cb 0.21 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3gtm h LEU 1203CO -0.23 0.59 0.19 -0.26 -0.34 0.00 0.00 178.44 178.40 3gtm h PHE 1204N 0.65 0.62 -0.01 1.25 0.05 -0.29 -1.19 116.94 118.03 3gtm h PHE 1204Ca 0.17 -0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.92 3gtm h PHE 1204Cb 0.12 -0.20 0.00 0.00 2.00 0.00 0.00 35.95 37.87 3gtm h PHE 1204CO -0.01 0.48 -0.08 1.96 -0.18 0.00 0.00 178.31 180.48 3gtm h GLN 1205N 0.63 0.06 -1.00 1.51 4.20 -0.61 -2.75 115.11 117.15 3gtm h GLN 1205Ca 0.16 -0.06 0.21 0.00 0.06 0.00 0.00 58.65 59.01 3gtm h GLN 1205Cb 0.11 0.02 -0.11 0.00 0.30 0.00 0.00 27.48 27.79 3gtm h GLN 1205CO -0.02 0.80 0.61 0.93 -0.67 0.00 0.00 178.83 180.48 3gtm h GLU 1206N -0.64 0.68 -0.44 1.46 5.08 -0.44 0.77 114.58 121.04 3gtm h GLU 1206Ca -0.01 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 3gtm h GLU 1206Cb 0.82 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3gtm h GLU 1206CO 0.02 0.45 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.16 3gtm h LEU 1207N 0.70 0.94 -0.97 1.33 3.38 -1.25 -2.51 115.31 116.92 3gtm h LEU 1207Ca 0.60 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3gtm h LEU 1207Cb 1.01 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 3gtm h LEU 1207CO -0.40 1.13 0.60 0.24 0.09 0.00 0.00 178.44 180.10 3gtm h MET 1208N 0.78 1.30 0.00 1.13 2.86 -0.67 0.86 114.93 121.19 3gtm h MET 1208Ca 0.10 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3gtm h MET 1208Cb 0.80 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 32.19 3gtm h MET 1208CO 0.07 0.90 0.00 0.00 1.06 0.00 0.00 176.91 178.94 3gtm n ALA 1209N -2.39 1.65 -1.08 6.32 0.00 0.06 -0.26 120.51 124.81 3gtm n ALA 1209Ca 0.11 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.58 3gtm n ALA 1209Cb 0.05 -1.16 0.20 0.00 0.00 0.00 0.00 19.45 18.54 3gtm n ALA 1209CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3gtm n MET 1210N -1.26 2.08 -1.02 0.00 2.00 0.13 -4.96 117.12 114.10 3gtm n MET 1210Ca 0.05 -2.77 -0.01 0.00 0.00 0.00 0.00 57.70 54.97 3gtm n MET 1210Cb 0.07 -1.69 -0.00 0.00 0.00 0.00 0.00 33.22 31.61 3gtm n MET 1210CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3gtm n ASN 1211N -0.98 -4.59 -4.65 7.83 2.85 0.64 -4.98 115.26 111.38 3gtm n ASN 1211Ca 0.20 0.01 -0.37 0.00 -0.11 0.00 0.00 54.58 54.31 3gtm n ASN 1211Cb 0.79 -2.14 -0.09 0.00 1.24 0.00 0.00 39.78 39.57 3gtm n ASN 1211CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3gtm s ILE 1212N -1.51 5.33 -0.49 -1.44 1.01 -0.26 -4.98 121.20 118.86 3gtm s ILE 1212Ca 0.00 0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.72 3gtm s ILE 1212Cb 0.00 -3.53 0.06 0.00 0.01 0.00 0.00 42.46 39.00 3gtm s ILE 1212CO 0.00 0.32 0.53 0.42 0.00 0.00 0.00 174.94 176.20 3gtm s THR 1213N 1.21 5.03 -0.49 2.92 -4.23 -1.26 -2.62 115.64 116.19 3gtm s THR 1213Ca 0.09 -0.72 -0.25 0.00 -1.18 0.00 0.00 61.69 59.63 3gtm s THR 1213Cb -0.14 -4.22 0.03 0.00 1.34 0.00 0.00 72.50 69.51 3gtm s THR 1213CO 0.06 -0.71 0.91 -2.84 -0.54 0.00 0.00 174.62 171.50 3gtm s PRO 1214N 2.22 3.45 0.40 3.99 0.02 -1.26 -5.04 135.00 138.77 3gtm s PRO 1214Ca 0.11 -0.02 -0.15 0.00 0.02 0.00 0.00 61.00 60.95 3gtm s PRO 1214Cb -0.21 -3.97 -0.09 0.00 0.02 0.00 0.00 34.50 30.25 3gtm s PRO 1214CO 0.10 -1.29 0.83 1.03 -0.33 0.00 0.00 177.00 177.34 3gtm s ARG 1215N 3.75 3.99 -0.23 5.54 1.81 -1.26 -4.70 118.95 127.85 3gtm s ARG 1215Ca 0.34 0.77 -0.02 0.00 -1.72 0.00 0.00 55.73 55.10 3gtm s ARG 1215Cb -0.11 -2.32 0.07 0.00 -0.45 0.00 0.00 34.95 32.14 3gtm s ARG 1215CO 0.24 -0.00 0.04 -0.51 -0.68 0.00 0.00 175.30 174.38 3gtm s LEU 1216N -3.41 1.67 -0.02 2.53 1.43 -1.16 -5.01 118.68 114.71 3gtm s LEU 1216Ca 0.56 -1.09 0.05 0.00 -1.03 0.00 0.00 54.13 52.62 3gtm s LEU 1216Cb -0.10 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 3gtm s LEU 1216CO 0.22 -0.32 -0.15 -0.31 0.23 0.00 0.00 176.35 176.02 3gtm s TYR 1217N 1.72 2.67 -2.15 0.29 1.51 -1.26 -4.52 117.35 115.61 3gtm s TYR 1217Ca 0.01 -0.18 0.22 0.00 -1.01 0.00 0.00 57.07 56.10 3gtm s TYR 1217Cb -0.17 -1.57 0.50 0.00 -0.11 0.00 0.00 41.96 40.60 3gtm s TYR 1217CO -0.12 0.22 1.44 0.25 -1.11 0.00 0.00 175.55 176.22 3gtm n THR 1218N 2.01 0.72 -3.79 -0.71 -2.24 -1.26 -4.88 114.28 104.12 3gtm n THR 1218Ca -0.17 -0.86 -0.13 0.00 -2.27 0.00 0.00 64.05 60.63 3gtm n THR 1218Cb 0.52 0.77 -0.12 0.00 -2.10 0.00 0.00 70.33 69.40 3gtm n THR 1218CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3gtm s ASP 1219N -1.25 -0.20 -0.12 3.42 1.47 -1.26 -5.15 116.67 113.59 3gtm s ASP 1219Ca 0.42 0.39 -0.20 0.00 1.18 0.00 0.00 52.55 54.33 3gtm s ASP 1219Cb 0.23 0.37 -0.04 0.00 -0.34 0.00 0.00 42.92 43.14 3gtm s ASP 1219CO 0.31 -0.08 0.57 0.00 0.68 0.00 0.00 175.17 176.65 3gtm s ARG 1220N 0.31 4.34 -0.05 2.11 1.70 -1.26 -4.95 118.95 121.16 3gtm s ARG 1220Ca -0.02 0.60 0.21 0.00 -0.47 0.00 0.00 55.73 56.05 3gtm s ARG 1220Cb -0.03 -3.47 -0.32 0.00 -0.57 0.00 0.00 34.95 30.56 3gtm s ARG 1220CO -0.01 0.05 0.42 -1.13 -1.08 0.00 0.00 175.30 173.56 3gtm n SER 1221N 3.98 0.11 -0.06 -2.89 3.41 -1.26 -4.65 113.62 112.26 3gtm n SER 1221Ca -0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.44 3gtm n SER 1221Cb 0.51 1.87 -0.06 0.00 -0.26 0.00 0.00 64.21 66.26 3gtm n SER 1221CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3gtm h ARG 1222N 0.00 0.35 0.00 4.33 2.43 -2.08 -3.48 114.38 115.92 3gtm h ARG 1222Ca -0.06 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3gtm h ARG 1222Cb 1.12 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3gtm h ARG 1222CO 0.00 0.67 0.00 -0.25 -1.51 0.00 0.00 179.97 178.88 3gtm n ASP 1223N -4.61 0.00 0.00 -3.80 8.00 -1.26 -5.36 116.55 109.51 3gtm n ASP 1223Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 3gtm n ASP 1223Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 3gtm n ASP 1223CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30